octadecanoate; (phenylmethyl)-tripropyl-azanium

Systemtic Name: octadecanoate; (phenylmethyl)-tripropyl-azanium Openeye Name: benzyl(tripropyl)ammonium; octadecanoate CAS Name: octadecanoate; (phenylmethyl)-tripropylammonium IUPAC Name: benzyl(tripropyl)azanium; octadecanoate Traditional Name: benzyl(tripropyl)ammonium; stearate Formula: C34H63NO2 MolecularWeight: 517.86952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.C16H28N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16/h2-17H2,1H3,(H,19,20);7-11H,4-6,12-15H2,1-3H3/q;+1/p-1