hexadecyl(trimethyl)azanium; 2-(2-octadecylphenyl)propan-2-ylazanium

Systemtic Name: hexadecyl(trimethyl)azanium; 2-(2-octadecylphenyl)propan-2-ylazanium Openeye Name: hexadecyl(trimethyl)ammonium; [1-methyl-1-(2-octadecylphenyl)ethyl]ammonium CAS Name: hexadecyl(trimethyl)ammonium; 2-(2-octadecylphenyl)propan-2-ylammonium IUPAC Name: hexadecyl(trimethyl)azanium; 2-(2-octadecylphenyl)propan-2-ylazanium Traditional Name: cetyl(trimethyl)ammonium; [1-methyl-1-(2-stearylphenyl)ethyl]ammonium Formula: C46H92N2+2 MolecularWeight: 673.23608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].CCCCCCCCCCCCCCCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].CCCCCCCCCCCCCCCC[N+](C)(C)C

InChI

InChI=1S/C27H49N.C19H42N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-20-21-24-26(25)27(2,3)28;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h20-21,23-24H,4-19,22,28H2,1-3H3;5-19H2,1-4H3/q;+1/p+1