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

Systemtic Name: 2-[[(2R)-2-(dimethylamino)-4-methyl-pentyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(2R)-2-(dimethylamino)-4-methyl-pentyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(2R)-2-(dimethylamino)-4-methylpentyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[(2R)-2-(dimethylamino)-4-methylpentyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(2R)-2-(dimethylamino)-4-methyl-pentyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C16H24N5O3+ MolecularWeight: 334.39346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C(=O)[N+]2=CC=CC=C2N1)[N+](=O)[O-])N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O3/c1-11(2)9-12(19(3)4)10-17-15-14(21(23)24)16(22)20-8-6-5-7-13(20)18-15/h5-8,11-12H,9-10H2,1-4H3,(H,17,22)/p+1/t12-/m1/s1