N-[3-(azepan-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-(azepan-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[3-(azepan-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-fluoro-benzamide CAS Name: N-[3-(1-azepan-1-iumylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-fluorobenzamide IUPAC Name: N-[3-(azepan-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-fluorobenzamide Traditional Name: N-[3-(azepan-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-fluoro-benzamide Formula: C21H26FN2OS+ MolecularWeight: 373.507343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(SC3=C2CCC3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(SC3=C2CCC3)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(17-6-5-7-19(17)26-21)14-24-12-3-1-2-4-13-24/h8-11H,1-7,12-14H2,(H,23,25)/p+1