4-fluoranyl-N-[2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 4-fluoranyl-N-[2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-fluoro-N-[2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]-2-oxo-ethyl]benzamide CAS Name: 4-fluoro-N-[2-[[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide IUPAC Name: 4-fluoro-N-[2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide Traditional Name: 4-fluoro-N-[2-keto-2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]ethyl]benzamide Formula: C21H27FN3O2S+ MolecularWeight: 404.521383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CNC(=O)C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)CNC(=O)C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C21H26FN3O2S/c1-15-8-10-25(11-9-15)18(19-3-2-12-28-19)13-23-20(26)14-24-21(27)16-4-6-17(22)7-5-16/h2-7,12,15,18H,8-11,13-14H2,1H3,(H,23,26)(H,24,27)/p+1/t18-/m1/s1