2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde

Systemtic Name: 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Openeye Name: 2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde CAS Name: 2-[(3S,5R)-3,5-dimethyl-1-piperidinyl]-7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxaldehyde IUPAC Name: 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Traditional Name: 2-[(3S,5R)-3,5-dimethylpiperidino]-4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Formula: C17H22N3O2+ MolecularWeight: 300.37548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C(=O)[N+]3=C(N2)C=CC(=C3)C)C=O)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C2=C(C(=O)[N+]3=C(N2)C=CC(=C3)C)C=O)C

InChI

InChI=1S/C17H21N3O2/c1-11-4-5-15-18-16(14(10-21)17(22)20(15)9-11)19-7-12(2)6-13(3)8-19/h4-5,9-10,12-13H,6-8H2,1-3H3/p+1/t12-,13+