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

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C13H17N5O3+2 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O3/c1-15-6-8-16(9-7-15)12-11(18(20)21)13(19)17-5-3-2-4-10(17)14-12/h2-5H,6-9H2,1H3/p+2