N-[3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-thiophen-2-yl]-4-methoxy-benzamide

Systemtic Name: N-[3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-thiophen-2-yl]-4-methoxy-benzamide Openeye Name: N-[3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-2-thienyl]-4-methoxy-benzamide CAS Name: N-[3-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4,5-dimethyl-2-thiophenyl]-4-methoxybenzamide IUPAC Name: N-[3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide Traditional Name: N-[3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-2-thienyl]-4-methoxy-benzamide Formula: C25H29FN3O2S+ MolecularWeight: 454.580063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[NH+]2CCN(CC2)C3=CC=CC=C3F)NC(=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(SC(=C1C[NH+]2CCN(CC2)C3=CC=CC=C3F)NC(=O)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H28FN3O2S/c1-17-18(2)32-25(27-24(30)19-8-10-20(31-3)11-9-19)21(17)16-28-12-14-29(15-13-28)23-7-5-4-6-22(23)26/h4-11H,12-16H2,1-3H3,(H,27,30)/p+1