3-[(2,5-dimethylphenyl)methyl]-4-oxidanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-one

Systemtic Name: 3-[(2,5-dimethylphenyl)methyl]-4-oxidanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-one Openeye Name: 3-[(2,5-dimethylphenyl)methyl]-4-hydroxy-1H-pyrido[1,2-a]pyrimidin-5-ium-2-one CAS Name: 3-[(2,5-dimethylphenyl)methyl]-4-hydroxy-1H-pyrido[1,2-a]pyrimidin-5-ium-2-one IUPAC Name: 3-[(2,5-dimethylphenyl)methyl]-4-hydroxy-1H-pyrido[1,2-a]pyrimidin-5-ium-2-one Traditional Name: 3-(2,5-dimethylbenzyl)-4-hydroxy-1H-pyrido[1,2-a]pyrimidin-5-ium-2-one Formula: C17H17N2O2+ MolecularWeight: 281.32908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=C([N+]3=CC=CC=C3NC2=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C([N+]3=CC=CC=C3NC2=O)O

InChI

InChI=1S/C17H16N2O2/c1-11-6-7-12(2)13(9-11)10-14-16(20)18-15-5-3-4-8-19(15)17(14)21/h3-9H,10H2,1-2H3,(H,20,21)/p+1