1-(4-fluorophenyl)-4-[(2-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-fluorophenyl)-4-[(2-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-benzyloxy-2-methoxy-phenyl)methyl]-4-(4-fluorophenyl)piperazin-1-ium CAS Name: 1-(4-fluorophenyl)-4-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)-4-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-benzoxy-2-methoxy-benzyl)-4-(4-fluorophenyl)piperazin-1-ium Formula: C25H28FN2O2+ MolecularWeight: 407.500423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCC2=CC=CC=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=CC(=C1)OCC2=CC=CC=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H27FN2O2/c1-29-25-17-24(30-19-20-5-3-2-4-6-20)12-7-21(25)18-27-13-15-28(16-14-27)23-10-8-22(26)9-11-23/h2-12,17H,13-16,18-19H2,1H3/p+1