5-phenylmethoxy-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridin-4-one

Systemtic Name: 5-phenylmethoxy-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridin-4-one Openeye Name: 5-benzyloxy-2-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyridin-4-one CAS Name: 2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-5-phenylmethoxy-1H-pyridin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-5-phenylmethoxy-1H-pyridin-4-one Traditional Name: 5-benzoxy-2-(4-benzylpiperazin-4-ium-1-carbonyl)-4-pyridone Formula: C24H26N3O3+ MolecularWeight: 404.48154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=O)C(=CN3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=O)C(=CN3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3/c28-22-15-21(25-16-23(22)30-18-20-9-5-2-6-10-20)24(29)27-13-11-26(12-14-27)17-19-7-3-1-4-8-19/h1-10,15-16H,11-14,17-18H2,(H,25,28)/p+1