2-(4,4-diethyl-2-oxidanylidene-1,4-diazepan-4-ium-1-yl)-N-[2-(4-nitrophenyl)ethyl]ethanamide

Systemtic Name: 2-(4,4-diethyl-2-oxidanylidene-1,4-diazepan-4-ium-1-yl)-N-[2-(4-nitrophenyl)ethyl]ethanamide Openeye Name: 2-(4,4-diethyl-2-oxo-1,4-diazepan-4-ium-1-yl)-N-[2-(4-nitrophenyl)ethyl]acetamide CAS Name: 2-(4,4-diethyl-2-oxo-1,4-diazepan-4-ium-1-yl)-N-[2-(4-nitrophenyl)ethyl]acetamide IUPAC Name: 2-(4,4-diethyl-2-oxo-1,4-diazepan-4-ium-1-yl)-N-[2-(4-nitrophenyl)ethyl]acetamide Traditional Name: 2-(4,4-diethyl-2-keto-1,4-diazepan-4-ium-1-yl)-N-[2-(4-nitrophenyl)ethyl]acetamide Formula: C19H29N4O4+ MolecularWeight: 377.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCN(C(=O)C1)CC(=O)NCCC2=CC=C(C=C2)[N+](=O)[O-])CC

Isomeric SMILES

CC[N+]1(CCCN(C(=O)C1)CC(=O)NCCC2=CC=C(C=C2)[N+](=O)[O-])CC

InChI

InChI=1S/C19H28N4O4/c1-3-23(4-2)13-5-12-21(19(25)15-23)14-18(24)20-11-10-16-6-8-17(9-7-16)22(26)27/h6-9H,3-5,10-15H2,1-2H3/p+1