(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(2-hydroxyethylamino)benzoate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(2-hydroxyethylamino)benzoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(2-hydroxyethylamino)benzoate CAS Name: 2-(2-hydroxyethylamino)benzoic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(2-hydroxyethylamino)benzoate Traditional Name: 2-(2-hydroxyethylamino)benzoic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C18H18N3O4+ MolecularWeight: 340.35322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c22-10-8-19-15-6-2-1-5-14(15)18(24)25-12-13-11-17(23)21-9-4-3-7-16(21)20-13/h1-7,9,11,22H,8,10,12H2,(H,19,24)/p+1