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

Systemtic Name: N-[5-ethyl-3-[(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(3-fluorophenyl)-[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[(3-fluorophenyl)-[4-(2-pyridinyl)-1-piperazin-1-iumyl]methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(3-fluorophenyl)-[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]-2-thienyl]benzamide Formula: C29H30FN4OS+ MolecularWeight: 501.638103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC(=CC=C3)F)[NH+]4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC(=CC=C3)F)[NH+]4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C29H29FN4OS/c1-2-24-20-25(29(36-24)32-28(35)21-9-4-3-5-10-21)27(22-11-8-12-23(30)19-22)34-17-15-33(16-18-34)26-13-6-7-14-31-26/h3-14,19-20,27H,2,15-18H2,1H3,(H,32,35)/p+1