hexadecyl-(4-methylphenyl)-dipropyl-azanium chloride

Systemtic Name: hexadecyl-(4-methylphenyl)-dipropyl-azanium chloride Openeye Name: hexadecyl-dipropyl-(p-tolyl)ammonium chloride CAS Name: hexadecyl-(4-methylphenyl)-dipropylammonium chloride IUPAC Name: hexadecyl-(4-methylphenyl)-dipropylazanium chloride Traditional Name: cetyl-dipropyl-(p-tolyl)ammonium chloride Formula: C29H54ClN MolecularWeight: 452.19876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H54N.ClH/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-27-30(25-6-2,26-7-3)29-23-21-28(4)22-24-29;/h21-24H,5-20,25-27H2,1-4H3;1H/q+1;/p-1