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

Systemtic Name: dimethyl-[2-[(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]ethyl]azanium Openeye Name: dimethyl-[2-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]ethyl]azanium Traditional Name: 2-[(4-keto-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]ethyl-dimethyl-ammonium Formula: C12H17N5O3+2 MolecularWeight: 279.29508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=C(C(=O)[N+]2=CC=CC=C2N1)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC1=C(C(=O)[N+]2=CC=CC=C2N1)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O3/c1-15(2)8-6-13-11-10(17(19)20)12(18)16-7-4-3-5-9(16)14-11/h3-5,7H,6,8H2,1-2H3,(H,13,18)/p+2