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

Systemtic Name: N-[5-ethyl-3-[(S)-(3-fluorophenyl)-piperidin-1-ium-1-yl-methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(S)-(3-fluorophenyl)-piperidin-1-ium-1-yl-methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(1-piperidin-1-iumyl)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[(S)-(3-fluorophenyl)-piperidin-1-ium-1-ylmethyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(S)-(3-fluorophenyl)-piperidin-1-ium-1-yl-methyl]-2-thienyl]benzamide Formula: C25H28FN2OS+ MolecularWeight: 423.566023

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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+]4CCCCC4

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)[C@H](C3=CC(=CC=C3)F)[NH+]4CCCCC4

InChI

InChI=1S/C25H27FN2OS/c1-2-21-17-22(25(30-21)27-24(29)18-10-5-3-6-11-18)23(28-14-7-4-8-15-28)19-12-9-13-20(26)16-19/h3,5-6,9-13,16-17,23H,2,4,7-8,14-15H2,1H3,(H,27,29)/p+1/t23-/m0/s1