2-[4-(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: 2-[4-(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(4-keto-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C18H26N6O4+2 MolecularWeight: 390.43684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O4/c1-13(2)19-15(25)12-21-7-5-8-22(11-10-21)17-16(24(27)28)18(26)23-9-4-3-6-14(23)20-17/h3-4,6,9,13H,5,7-8,10-12H2,1-2H3,(H,19,25)/p+2