N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]-3-methoxy-benzamide

Systemtic Name: N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]-3-methoxy-benzamide Openeye Name: N-[(1R,2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]-3-methoxy-benzamide CAS Name: N-[(1S,2R)-1-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-thiophen-2-ylpropan-2-yl]-3-methoxybenzamide IUPAC Name: N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methoxybenzamide Traditional Name: N-[(1R,2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]-3-methoxy-benzamide Formula: C25H29FN3O2S+ MolecularWeight: 454.580063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=CC=C3F)NC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

C[C@H]([C@@H](C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=CC=C3F)NC(=O)C4=CC(=CC=C4)OC

InChI

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