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

Systemtic Name: 2-[[(2S)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(2S)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(2S)-3-methyl-2-(4-methyl-1-piperazin-1-iumyl)butyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[(2S)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(2S)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H28N6O3+2 MolecularWeight: 376.45332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=C(C(=O)[N+]2=CC=CC=C2N1)[N+](=O)[O-])[NH+]3CCN(CC3)C

Isomeric SMILES

CC(C)[C@@H](CNC1=C(C(=O)[N+]2=CC=CC=C2N1)[N+](=O)[O-])[NH+]3CCN(CC3)C

InChI

InChI=1S/C18H26N6O3/c1-13(2)14(22-10-8-21(3)9-11-22)12-19-17-16(24(26)27)18(25)23-7-5-4-6-15(23)20-17/h4-7,13-14H,8-12H2,1-3H3,(H,19,25)/p+2/t14-/m1/s1