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

Systemtic Name: methyl 6-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioylamino]hexanoate CAS Name: 6-[[sulfanylidene-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioylamino]hexanoate Traditional Name: 6-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H34N3O2S+ MolecularWeight: 344.53576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H33N3O2S/c1-16(2)11-13(12-17(3,4)20-16)19-15(23)18-10-8-6-7-9-14(21)22-5/h13,20H,6-12H2,1-5H3,(H2,18,19,23)/p+1