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

Systemtic Name: 3-nitro-2-[[(2R)-1-oxidanylbutan-2-yl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(1R)-1-(hydroxymethyl)propyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(2R)-1-hydroxybutan-2-yl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[(2R)-1-hydroxybutan-2-yl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1R)-1-methylolpropyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C12H15N4O4+ MolecularWeight: 279.2719

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C(=O)[N+]2=CC=CC=C2N1)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](CO)NC1=C(C(=O)[N+]2=CC=CC=C2N1)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O4/c1-2-8(7-17)13-11-10(16(19)20)12(18)15-6-4-3-5-9(15)14-11/h3-6,8,17H,2,7H2,1H3,(H,13,18)/p+1/t8-/m1/s1