N-[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[(S)-(4-fluorophenyl)-(2-thienyl)methyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[(S)-(4-fluorophenyl)-(2-thienyl)methyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C19H24FN2OS+ MolecularWeight: 347.470063

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)N[C@@H](C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C19H23FN2OS/c1-14-4-2-10-22(12-14)13-18(23)21-19(17-5-3-11-24-17)15-6-8-16(20)9-7-15/h3,5-9,11,14,19H,2,4,10,12-13H2,1H3,(H,21,23)/p+1/t14-,19-/m0/s1