3-phenyl-2-sulfanylidene-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1H-imidazole-4-carboxamide

Systemtic Name: 3-phenyl-2-sulfanylidene-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1H-imidazole-4-carboxamide Openeye Name: 3-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-2-thioxo-1H-imidazole-4-carboxamide CAS Name: 3-phenyl-2-sulfanylidene-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-1H-imidazole-4-carboxamide IUPAC Name: 3-phenyl-2-sulfanylidene-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1H-imidazole-4-carboxamide Traditional Name: 3-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-2-thioxo-4-imidazoline-4-carboxamide Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CNC(=S)N2C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CNC(=S)N2C3=CC=CC=C3)C

InChI

InChI=1S/C19H26N4OS/c1-18(2)10-13(11-19(3,4)22-18)21-16(24)15-12-20-17(25)23(15)14-8-6-5-7-9-14/h5-9,12-13,22H,10-11H2,1-4H3,(H,20,25)(H,21,24)/p+1