1-phenyl-4-phenylmethoxy-4-pyridin-4-yl-piperazin-4-ium-2-one

Systemtic Name: 1-phenyl-4-phenylmethoxy-4-pyridin-4-yl-piperazin-4-ium-2-one Openeye Name: 4-benzyloxy-1-phenyl-4-(4-pyridyl)piperazin-4-ium-2-one CAS Name: 1-phenyl-4-phenylmethoxy-4-pyridin-4-yl-2-piperazin-4-iumone IUPAC Name: 1-phenyl-4-phenylmethoxy-4-pyridin-4-ylpiperazin-4-ium-2-one Traditional Name: 4-benzoxy-1-phenyl-4-(4-pyridyl)piperazin-4-ium-2-one Formula: C22H22N3O2+ MolecularWeight: 360.42898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC(=O)N1C2=CC=CC=C2)(C3=CC=NC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C[N+](CC(=O)N1C2=CC=CC=C2)(C3=CC=NC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H22N3O2/c26-22-17-25(21-11-13-23-14-12-21,27-18-19-7-3-1-4-8-19)16-15-24(22)20-9-5-2-6-10-20/h1-14H,15-18H2/q+1