[(E)-docos-13-enyl]-dimethyl-(phenylmethyl)azanium

Systemtic Name: [(E)-docos-13-enyl]-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(E)-docos-13-enyl]-dimethyl-ammonium CAS Name: [(E)-docos-13-enyl]-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(E)-docos-13-enyl]-dimethylazanium Traditional Name: benzyl-[(E)-docos-13-enyl]-dimethyl-ammonium Formula: C31H56N+ MolecularWeight: 442.78304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C31H56N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-32(2,3)30-31-27-24-23-25-28-31/h11-12,23-25,27-28H,4-10,13-22,26,29-30H2,1-3H3/q+1/b12-11+