dimethyl-[(2R)-4-methyl-1-[(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]pentan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-4-methyl-1-[(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]pentan-2-yl]azanium Openeye Name: dimethyl-[(1R)-3-methyl-1-[[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]methyl]butyl]ammonium CAS Name: dimethyl-[(2R)-4-methyl-1-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]pentan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-4-methyl-1-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]pentan-2-yl]azanium Traditional Name: [(1R)-1-[[(4-keto-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]methyl]-3-methyl-butyl]-dimethyl-ammonium Formula: C16H25N5O3+2 MolecularWeight: 335.4014

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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-])[NH+](C)C

Isomeric SMILES

CC(C)C[C@H](CNC1=C(C(=O)[N+]2=CC=CC=C2N1)[N+](=O)[O-])[NH+](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+2/t12-/m1/s1