hexadecyl-(4-methylphenyl)-dipropyl-azanium

Systemtic Name: hexadecyl-(4-methylphenyl)-dipropyl-azanium Openeye Name: hexadecyl-dipropyl-(p-tolyl)ammonium CAS Name: hexadecyl-(4-methylphenyl)-dipropylammonium IUPAC Name: hexadecyl-(4-methylphenyl)-dipropylazanium Traditional Name: cetyl-dipropyl-(p-tolyl)ammonium Formula: C29H54N+ MolecularWeight: 416.74576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H54N/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/q+1