Molecule structure of Pyridinium, 1-propyl-3-(p-(p-((p-(1-propylpyridinium-3-yl)phenyl)carbamoyl)cinnamamido)phenyl)-, di-p-toluenesulfonate (CAS NO.19060-40-3):

IUPAC Name: 4-Methylbenzenesulfonate; 4-[(E)-3-oxo-3-[4-(1-propylpyridin-1-ium-3-yl)anilino]prop-1-enyl]-N-[4-(1-propylpyridin-1-ium-3-yl)phenyl]benzamide 
Molecular Weight: 925.12128 g/mol
Molecular Formula: C₅₂H₅₂N₄O₈S₂
H-Bond Donor: 2
H-Bond Acceptor: 8
Rotatable Bond Count: 11
Tautomer Count: 4
Exact Mass: 924.322656
MonoIsotopic Mass: 924.322656
Topological Polar Surface Area: 180
Heavy Atom Count: 66
Complexity: 1090
Canonical SMILES: CCC[N+]1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=C[N+](=CC=C5)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
Isomeric SMILES: CCC[N+]1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=C[N+](=CC=C5)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChI: InChI=1S/C38H36N4O2.2C7H8O3S/c1-3-23-41-25-5-7-33(27-41)30-14-18-35(19-15-30)39-37(43)22-11-29-9-12-32(13-10-29)38(44)40-36-20-16-31(17-21-36)34-8-6-26-42(28-34)24-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-22,25-28H,3-4,23-24H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/b22-11+;;
InChIKey of Pyridinium, 1-propyl-3-(p-(p-((p-(1-propylpyridinium-3-yl)phenyl)carbamoyl)cinnamamido)phenyl)-, di-p-toluenesulfonate (CAS NO.19060-40-3): MZEYBIUQJGCXGW-QLVZFOIYSA-N

Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of NO_x and SO_x.