trimethyl-[1-(4-methylphenyl)-1-(trimethylazaniumyl)tridecyl]azanium dichloride

Systemtic Name: trimethyl-[1-(4-methylphenyl)-1-(trimethylazaniumyl)tridecyl]azanium dichloride Openeye Name: trimethyl-[1-(p-tolyl)-1-(trimethylammonio)tridecyl]ammonium dichloride CAS Name: trimethyl-[1-(4-methylphenyl)-1-(trimethylammonio)tridecyl]ammonium dichloride IUPAC Name: trimethyl-[1-(4-methylphenyl)-1-(trimethylazaniumyl)tridecyl]azanium dichloride Traditional Name: trimethyl-[1-(p-tolyl)-1-(trimethylammonio)tridecyl]ammonium dichloride Formula: C26H50Cl2N2 MolecularWeight: 461.5946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1=CC=C(C=C1)C)([N+](C)(C)C)[N+](C)(C)C.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC(C1=CC=C(C=C1)C)([N+](C)(C)C)[N+](C)(C)C.[Cl-].[Cl-]

InChI

InChI=1S/C26H50N2.2ClH/c1-9-10-11-12-13-14-15-16-17-18-23-26(27(3,4)5,28(6,7)8)25-21-19-24(2)20-22-25;;/h19-22H,9-18,23H2,1-8H3;2*1H/q+2;;/p-2