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

Systemtic Name: 3-nitro-2-(3-oxidanylpropylamino)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(3-hydroxypropylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(3-hydroxypropylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(3-hydroxypropylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(3-hydroxypropylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C11H13N4O4+ MolecularWeight: 265.24532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=C(C2=O)[N+](=O)[O-])NCCCO

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=C(C2=O)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C11H12N4O4/c16-7-3-5-12-10-9(15(18)19)11(17)14-6-2-1-4-8(14)13-10/h1-2,4,6,16H,3,5,7H2,(H,12,17)/p+1