4-fluoranyl-N-[3-(piperidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[3-(piperidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 4-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 4-fluoro-N-[3-(1-piperidin-1-iumylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 4-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 4-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C21H26FN2OS+ MolecularWeight: 373.507343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H25FN2OS/c22-16-10-8-15(9-11-16)20(25)23-21-18(14-24-12-4-1-5-13-24)17-6-2-3-7-19(17)26-21/h8-11H,1-7,12-14H2,(H,23,25)/p+1