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

Systemtic Name: methyl 2-[4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioylamino]phenyl]acetate CAS Name: 2-[4-[[sulfanylidene-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]methyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioylamino]phenyl]acetate Traditional Name: 2-[4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiocarbamoylamino]phenyl]acetic acid methyl ester Formula: C19H30N3O2S+ MolecularWeight: 364.5254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-18(2)11-15(12-19(3,4)22-18)21-17(25)20-14-8-6-13(7-9-14)10-16(23)24-5/h6-9,15,22H,10-12H2,1-5H3,(H2,20,21,25)/p+1