[2-(azepan-2-yl)-2-oxidanylidene-ethyl]-dimethyl-(3-octadecoxypropyl)azanium

Systemtic Name: [2-(azepan-2-yl)-2-oxidanylidene-ethyl]-dimethyl-(3-octadecoxypropyl)azanium Openeye Name: [2-(azepan-2-yl)-2-oxo-ethyl]-dimethyl-(3-octadecoxypropyl)ammonium CAS Name: [2-(2-azepanyl)-2-oxoethyl]-dimethyl-(3-octadecoxypropyl)ammonium IUPAC Name: [2-(azepan-2-yl)-2-oxoethyl]-dimethyl-(3-octadecoxypropyl)azanium Traditional Name: [2-(azepan-2-yl)-2-keto-ethyl]-dimethyl-(3-stearyloxypropyl)ammonium Formula: C31H63N2O2+ MolecularWeight: 495.84412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)CC(=O)C1CCCCCN1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)CC(=O)C1CCCCCN1

InChI

InChI=1S/C31H63N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-35-28-23-26-33(2,3)29-31(34)30-24-20-19-21-25-32-30/h30,32H,4-29H2,1-3H3/q+1