2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(4-benzoxy-3-methoxy-benzyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H22N3O3+ MolecularWeight: 388.43908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CC(=O)[N+]3=CC=CC=C3N2)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CC(=O)[N+]3=CC=CC=C3N2)OCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3/c1-28-20-13-18(10-11-19(20)29-16-17-7-3-2-4-8-17)15-24-21-14-23(27)26-12-6-5-9-22(26)25-21/h2-14H,15-16H2,1H3,(H,24,27)/p+1