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

Systemtic Name: ethyl 4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H30N3O2S+ MolecularWeight: 364.5254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CC([NH2+]C(C2)(C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CC([NH2+]C(C2)(C)C)(C)C

InChI

InChI=1S/C19H29N3O2S/c1-6-24-16(23)13-7-9-14(10-8-13)20-17(25)21-15-11-18(2,3)22-19(4,5)12-15/h7-10,15,22H,6,11-12H2,1-5H3,(H2,20,21,25)/p+1