N'-(3-fluoranyl-4-methyl-phenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide

Systemtic Name: N'-(3-fluoranyl-4-methyl-phenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(3-fluoro-4-methyl-phenyl)-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-(3-fluoro-4-methylphenyl)-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(3-fluoro-4-methylphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-(3-fluoro-4-methyl-phenyl)-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C20H25FN3O2S+ MolecularWeight: 390.494803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3)F

InChI

InChI=1S/C20H24FN3O2S/c1-14-4-5-16(11-18(14)21)23-20(26)19(25)22-12-15-6-8-24(9-7-15)13-17-3-2-10-27-17/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,22,25)(H,23,26)/p+1