4-azanylbenzoate; dimethyl-octadecyl-(phenylmethyl)azanium

Systemtic Name: 4-azanylbenzoate; dimethyl-octadecyl-(phenylmethyl)azanium Openeye Name: 4-aminobenzoate; benzyl-dimethyl-octadecyl-ammonium CAS Name: 4-aminobenzoate; dimethyl-octadecyl-(phenylmethyl)ammonium IUPAC Name: 4-aminobenzoate; benzyl-dimethyl-octadecylazanium Traditional Name: 4-aminobenzoate; benzyl-dimethyl-stearyl-ammonium Formula: C34H56N2O2 MolecularWeight: 524.82064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC(=CC=C1C(=O)[O-])N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC(=CC=C1C(=O)[O-])N

InChI

InChI=1S/C27H50N.C7H7NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;8-6-3-1-5(2-4-6)7(9)10/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1-4H,8H2,(H,9,10)/q+1;/p-1