2-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazinyl]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[4-(4-hydroxyphenyl)piperazino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H18N5O4+ MolecularWeight: 368.36662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)O)C3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)O)C3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4/c24-14-6-4-13(5-7-14)20-9-11-21(12-10-20)17-16(23(26)27)18(25)22-8-2-1-3-15(22)19-17/h1-8,24H,9-12H2/p+1