methyl 4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioyl]benzoate

Systemtic Name: methyl 4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioyl]benzoate Openeye Name: methyl 4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioyl]benzoate CAS Name: 4-[sulfanylidene-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioyl]benzoate Traditional Name: 4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiocarbamoyl]benzoic acid methyl ester Formula: C18H27N2O2S+ MolecularWeight: 335.48418

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=S)C2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=S)C2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C18H26N2O2S/c1-17(2)10-14(11-18(3,4)20-17)19-15(23)12-6-8-13(9-7-12)16(21)22-5/h6-9,14,20H,10-11H2,1-5H3,(H,19,23)/p+1