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

Systemtic Name: 3-nitro-2-[[(2S)-pentan-2-yl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(1S)-1-methylbutyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-nitro-2-[[(2S)-pentan-2-yl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 3-nitro-2-[[(2S)-pentan-2-yl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1S)-1-methylbutyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C13H17N4O3+ MolecularWeight: 277.29908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3/c1-3-6-9(2)14-12-11(17(19)20)13(18)16-8-5-4-7-10(16)15-12/h4-5,7-9H,3,6H2,1-2H3,(H,14,18)/p+1/t9-/m0/s1