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

Systemtic Name: [2-(azepan-2-yl)-2-oxidanylidene-ethyl]-dimethyl-[3-(octadecanoylamino)propyl]azanium Openeye Name: [2-(azepan-2-yl)-2-oxo-ethyl]-dimethyl-[3-(octadecanoylamino)propyl]ammonium CAS Name: [2-(2-azepanyl)-2-oxoethyl]-dimethyl-[3-(1-oxooctadecylamino)propyl]ammonium IUPAC Name: [2-(azepan-2-yl)-2-oxoethyl]-dimethyl-[3-(octadecanoylamino)propyl]azanium Traditional Name: [2-(azepan-2-yl)-2-keto-ethyl]-dimethyl-(3-stearamidopropyl)ammonium Formula: C31H62N3O2+ MolecularWeight: 508.84288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)C1CCCCCN1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)C1CCCCCN1

InChI

InChI=1S/C31H61N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-31(36)33-26-22-27-34(2,3)28-30(35)29-23-19-18-21-25-32-29/h29,32H,4-28H2,1-3H3/p+1