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

Systemtic Name: [2-(azepan-2-yl)-2-oxidanylidene-ethyl]-[3-(octadecanoylamino)propyl]azanium Openeye Name: [2-(azepan-2-yl)-2-oxo-ethyl]-[3-(octadecanoylamino)propyl]ammonium CAS Name: [2-(2-azepanyl)-2-oxoethyl]-[3-(1-oxooctadecylamino)propyl]ammonium IUPAC Name: [2-(azepan-2-yl)-2-oxoethyl]-[3-(octadecanoylamino)propyl]azanium Traditional Name: [2-(azepan-2-yl)-2-keto-ethyl]-(3-stearamidopropyl)ammonium Formula: C29H58N3O2+ MolecularWeight: 480.78972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[NH2+]CC(=O)C1CCCCCN1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[NH2+]CC(=O)C1CCCCCN1

InChI

InChI=1S/C29H57N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-29(34)32-25-20-23-30-26-28(33)27-21-17-16-19-24-31-27/h27,30-31H,2-26H2,1H3,(H,32,34)/p+1