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896465-66-0

Basic Information
CAS No.: 896465-66-0
Name: 1-Isoamyl-2-methyl-3,3-dibenzyl-5-chloroindolium bromide
Molecular Structure:
Molecular Structure of 896465-66-0 (1-Isoamyl-2-methyl-3,3-dibenzyl-5-chloroindolium bromide)
Formula: C28H31 Cl N . Br
Molecular Weight: 496.91
Synonyms: 3H-Indolium,5-chloro-2-methyl-1-(3-methylbutyl)-3,3-bis(phenylmethyl)-, bromide (9CI);
PSA: 3.24000
LogP: 8.34090
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Specification

     1-Isoamyl-2-methyl-3,3-dibenzyl-5-chloroindolium bromide has the CAS registry number 896465-66-0. And it has other names as 3H-Indolium,5-chloro-2-methyl-1-(3-methylbutyl)-3,3-bis(phenylmethyl)-,bromide (9CI) , 3,3-Dibenzyl-5-chloro-2-methyl-1-(3-methylbutyl)-3H-indolium bromide , etc.

     You could convert the chemical data into the molecular structure by using the following chainings:
SMILES:
CC1=[N+](c2ccc(cc2C1(Cc3ccccc3)Cc4ccccc4)Cl)CCC(C)C.[Br-]

InChI:
InChI=1/C28H31ClN.BrH/c1-21(2)16-17-30-22(3)28(19-23-10-6-4-7-11-23,20-24-12-8-5-9-13-24)26-18-25(29)14-15-27(26)30;/h4-15,18,21H,16-17,19-20H2,1-3H3;1H/q+1;/p-1