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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC2=CC(=O)[N+]3=CC=CC=C3N2)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC2=CC(=O)[N+]3=CC=CC=C3N2)C

InChI

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