1-(5-(4-Methylpiperidino)-2,4-pentadienylidene)-4-methylpiperidinium chloride sesquihydrate

Base Information

• Chemical Name: 1-(5-(4-Methylpiperidino)-2,4-pentadienylidene)-4-methylpiperidinium chloride sesquihydrate
• CAS No.: 63887-47-8
• Molecular Formula: C17H29 N2 . Cl . 3/2 H2 O
• Molecular Weight: 647.803

Synonyms:1-(5-(4-Methylpiperidino)-2,4-pentadienylidene)-4-methylpiperidinium chloride sesquihydrate;Piperidinium, 1-(5-(4-methylpiperidino)-2,4-pentadienylidene)-4-methyl-, chloride, sesquihydrate;63887-47-8;LS-116748;Piperidinium, 4-methyl-1-[5-(4-methyl-1-piperidinyl)-2,4-pentadienylidene]-, chloride, sesquihydrate

Chemical Property of 1-(5-(4-Methylpiperidino)-2,4-pentadienylidene)-4-methylpiperidinium chloride sesquihydrate

Chemical Property:

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 646.4355473
• Heavy Atom Count: 43
• Complexity: 304

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCN(CC1)C=CC=CC=[N+]2CCC(CC2)C.CC1CCN(CC1)C=CC=CC=[N+]2CCC(CC2)C.O.O.O.[Cl-].[Cl-]
• Isomeric SMILES: CC1CCN(CC1)/C=C/C=C/C=[N+]2CCC(CC2)C.CC1CCN(CC1)/C=C/C=C/C=[N+]2CCC(CC2)C.O.O.O.[Cl-].[Cl-]

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