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

Systemtic Name: N-[5-ethyl-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-thienyl]benzamide Formula: C24H27FN3OS+ MolecularWeight: 424.554083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3OS/c1-2-22-16-19(24(30-22)26-23(29)18-6-4-3-5-7-18)17-27-12-14-28(15-13-27)21-10-8-20(25)9-11-21/h3-11,16H,2,12-15,17H2,1H3,(H,26,29)/p+1