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

Systemtic Name: 2-(3,3-diphenylpropylamino)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(3,3-diphenylpropylamino)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(3,3-diphenylpropylamino)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(3,3-diphenylpropylamino)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(3,3-diphenylpropylamino)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H22N3O+ MolecularWeight: 356.44028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC2=CC(=O)[N+]3=CC=CC=C3N2)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC2=CC(=O)[N+]3=CC=CC=C3N2)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O/c27-23-17-21(25-22-13-7-8-16-26(22)23)24-15-14-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,16-17,20H,14-15H2,(H,24,27)/p+1