N-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-phenoxy-benzamide

Systemtic Name: N-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-phenoxy-benzamide Openeye Name: N-[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-phenoxy-benzamide CAS Name: N-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-phenoxybenzamide IUPAC Name: N-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-4-phenoxybenzamide Traditional Name: N-[2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-4-phenoxy-benzamide Formula: C27H29FN3O4+ MolecularWeight: 478.535263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)F

InChI

InChI=1S/C27H28FN3O4/c1-34-25-12-7-20(17-24(25)28)19-30-13-15-31(16-14-30)26(32)18-29-27(33)21-8-10-23(11-9-21)35-22-5-3-2-4-6-22/h2-12,17H,13-16,18-19H2,1H3,(H,29,33)/p+1