N-[3-(azepan-1-ium-1-ylmethyl)-4,5-dimethyl-thiophen-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-(azepan-1-ium-1-ylmethyl)-4,5-dimethyl-thiophen-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[3-(azepan-1-ium-1-ylmethyl)-4,5-dimethyl-2-thienyl]-4-fluoro-benzamide CAS Name: N-[3-(1-azepan-1-iumylmethyl)-4,5-dimethyl-2-thiophenyl]-4-fluorobenzamide IUPAC Name: N-[3-(azepan-1-ium-1-ylmethyl)-4,5-dimethylthiophen-2-yl]-4-fluorobenzamide Traditional Name: N-[3-(azepan-1-ium-1-ylmethyl)-4,5-dimethyl-2-thienyl]-4-fluoro-benzamide Formula: C20H26FN2OS+ MolecularWeight: 361.496643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[NH+]2CCCCCC2)NC(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(SC(=C1C[NH+]2CCCCCC2)NC(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H25FN2OS/c1-14-15(2)25-20(18(14)13-23-11-5-3-4-6-12-23)22-19(24)16-7-9-17(21)10-8-16/h7-10H,3-6,11-13H2,1-2H3,(H,22,24)/p+1