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

Systemtic Name: 2-[4-(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperazin-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperazin-1-yl]acetamide CAS Name: 2-[4-(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-1-piperazinyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperazin-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-(4-keto-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperazino]acetamide Formula: C17H21N6O4+ MolecularWeight: 373.38644

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CN1CCN(CC1)C2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=O)CN1CCN(CC1)C2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4/c1-2-6-18-14(24)12-20-8-10-21(11-9-20)16-15(23(26)27)17(25)22-7-4-3-5-13(22)19-16/h2-5,7H,1,6,8-12H2,(H,18,24)/p+1