N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]-2-methoxy-benzamide Openeye Name: N-[(1R,2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]-2-methoxy-benzamide CAS Name: N-[(1S,2R)-1-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-thiophen-2-ylpropan-2-yl]-2-methoxybenzamide IUPAC Name: N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methoxybenzamide Traditional Name: N-[(1R,2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]-2-methoxy-benzamide Formula: C25H29FN3O2S+ MolecularWeight: 454.580063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F)NC(=O)C4=CC=CC=C4OC

Isomeric SMILES

C[C@H]([C@@H](C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F)NC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C25H28FN3O2S/c1-18(27-25(30)21-6-3-4-7-22(21)31-2)24(23-8-5-17-32-23)29-15-13-28(14-16-29)20-11-9-19(26)10-12-20/h3-12,17-18,24H,13-16H2,1-2H3,(H,27,30)/p+1/t18-,24+/m1/s1