7,7-dimethyloctanoate; dodecyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 7,7-dimethyloctanoate; dodecyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-dodecyl-dimethyl-ammonium; 7,7-dimethyloctanoate CAS Name: 7,7-dimethyloctanoate; dodecyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-dodecyl-dimethylazanium; 7,7-dimethyloctanoate Traditional Name: benzyl-lauryl-dimethyl-ammonium; 7,7-dimethylcaprylate Formula: C31H57NO2 MolecularWeight: 475.78978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CC(C)(C)CCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CC(C)(C)CCCCCC(=O)[O-]

InChI

InChI=1S/C21H38N.C10H20O2/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;1-10(2,3)8-6-4-5-7-9(11)12/h13-15,17-18H,4-12,16,19-20H2,1-3H3;4-8H2,1-3H3,(H,11,12)/q+1;/p-1