2-[4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxo-ethyl]-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[2-[1-cyclohexenyl(propyl)amino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-[cyclohexen-1-yl(propyl)amino]-2-keto-ethyl]-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide Formula: C21H39N4O2+ MolecularWeight: 379.55996

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CCCCC1)C(=O)CN2CCC[NH+](CC2)CC(=O)NC(C)C

Isomeric SMILES

CCCN(C1=CCCCC1)C(=O)CN2CCC[NH+](CC2)CC(=O)NC(C)C

InChI

InChI=1S/C21H38N4O2/c1-4-11-25(19-9-6-5-7-10-19)21(27)17-24-13-8-12-23(14-15-24)16-20(26)22-18(2)3/h9,18H,4-8,10-17H2,1-3H3,(H,22,26)/p+1