dimethyl-phenyl-(phenylmethyl)azanium; octadecanoate

Systemtic Name: dimethyl-phenyl-(phenylmethyl)azanium; octadecanoate Openeye Name: benzyl-dimethyl-phenyl-ammonium; octadecanoate CAS Name: dimethyl-phenyl-(phenylmethyl)ammonium; octadecanoate IUPAC Name: benzyl-dimethyl-phenylazanium; octadecanoate Traditional Name: benzyl-dimethyl-phenyl-ammonium; stearate Formula: C33H53NO2 MolecularWeight: 495.77942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].C[N+](C)(CC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].C[N+](C)(CC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H36O2.C15H18N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h2-17H2,1H3,(H,19,20);3-12H,13H2,1-2H3/q;+1/p-1