9-methyl-N-[(1S,2R)-2-methylcyclohexyl]-4-oxidanyl-2-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: 9-methyl-N-[(1S,2R)-2-methylcyclohexyl]-4-oxidanyl-2-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: 4-hydroxy-9-methyl-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: 4-hydroxy-9-methyl-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: 4-hydroxy-9-methyl-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: 4-hydroxy-2-keto-9-methyl-N-[(1S,2R)-2-methylcyclohexyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C17H22N3O3+ MolecularWeight: 316.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=C([N+]3=CC=CC(=C3NC2=O)C)O

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=O)C2=C([N+]3=CC=CC(=C3NC2=O)C)O

InChI

InChI=1S/C17H21N3O3/c1-10-6-3-4-8-12(10)18-15(21)13-16(22)19-14-11(2)7-5-9-20(14)17(13)23/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H2,18,21,22,23)/p+1/t10-,12+/m1/s1