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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3/c1-3-9(4-2)14-12-11(17(19)20)13(18)16-8-6-5-7-10(16)15-12/h5-9H,3-4H2,1-2H3,(H,14,18)/p+1