hexadecyl-dimethyl-(phenylmethyl)azanium; 2-(6-methylheptyl)phenolate

Systemtic Name: hexadecyl-dimethyl-(phenylmethyl)azanium; 2-(6-methylheptyl)phenolate Openeye Name: benzyl-hexadecyl-dimethyl-ammonium; 2-(6-methylheptyl)phenolate CAS Name: hexadecyl-dimethyl-(phenylmethyl)ammonium; 2-(6-methylheptyl)phenolate IUPAC Name: benzyl-hexadecyl-dimethylazanium; 2-(6-methylheptyl)phenolate Traditional Name: benzyl-cetyl-dimethyl-ammonium; 2-(6-methylheptyl)phenolate Formula: C39H67NO MolecularWeight: 565.95538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CC(C)CCCCCC1=CC=CC=C1[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CC(C)CCCCCC1=CC=CC=C1[O-]

InChI

InChI=1S/C25H46N.C14H22O/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;1-12(2)8-4-3-5-9-13-10-6-7-11-14(13)15/h17-19,21-22H,4-16,20,23-24H2,1-3H3;6-7,10-12,15H,3-5,8-9H2,1-2H3/q+1;/p-1