3-(4-fluorophenyl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-thioxo-1H-imidazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: 3-(4-fluorophenyl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-thioxo-4-imidazoline-4-carboxamide Formula: C22H26FN4OS2+ MolecularWeight: 445.596443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CNC(=S)N2C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=CNC(=S)N2C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C22H25FN4OS2/c1-15-8-10-26(11-9-15)18(20-3-2-12-30-20)13-24-21(28)19-14-25-22(29)27(19)17-6-4-16(23)5-7-17/h2-7,12,14-15,18H,8-11,13H2,1H3,(H,24,28)(H,25,29)/p+1/t18-/m1/s1