3-[4-(phenylcarbonyl)piperidin-1-yl]carbonyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3-[4-(phenylcarbonyl)piperidin-1-yl]carbonyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 3-(4-benzoylpiperidine-1-carbonyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-[(4-benzoyl-1-piperidinyl)-oxomethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 3-(4-benzoylpiperidine-1-carbonyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 3-(4-benzoylpiperidine-1-carbonyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H20N3O3+ MolecularWeight: 362.4018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=[N+]4C3=O

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=[N+]4C3=O

InChI

InChI=1S/C21H19N3O3/c25-19(15-6-2-1-3-7-15)16-9-12-23(13-10-16)20(26)17-14-22-18-8-4-5-11-24(18)21(17)27/h1-8,11,14,16H,9-10,12-13H2/p+1