4-chloranyl-3-methyl-phenolate; hexadecyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 4-chloranyl-3-methyl-phenolate; hexadecyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-hexadecyl-dimethyl-ammonium; 4-chloro-3-methyl-phenolate CAS Name: 4-chloro-3-methylphenolate; hexadecyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-hexadecyl-dimethylazanium; 4-chloro-3-methylphenolate Traditional Name: benzyl-cetyl-dimethyl-ammonium; 4-chloro-3-methyl-phenolate Formula: C32H52ClNO MolecularWeight: 502.21438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CC1=C(C=CC(=C1)[O-])Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CC1=C(C=CC(=C1)[O-])Cl

InChI

InChI=1S/C25H46N.C7H7ClO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;1-5-4-6(9)2-3-7(5)8/h17-19,21-22H,4-16,20,23-24H2,1-3H3;2-4,9H,1H3/q+1;/p-1