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

Systemtic Name: methyl 4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioylamino]benzoate CAS Name: 4-[[sulfanylidene-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioylamino]benzoate Traditional Name: 4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiocarbamoylamino]benzoic acid methyl ester Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C18H27N3O2S/c1-17(2)10-14(11-18(3,4)21-17)20-16(24)19-13-8-6-12(7-9-13)15(22)23-5/h6-9,14,21H,10-11H2,1-5H3,(H2,19,20,24)/p+1