[(2S)-1-(4-methylpiperidin-1-ium-1-yl)propan-2-yl] thiophene-2-carboxylate

Systemtic Name: [(2S)-1-(4-methylpiperidin-1-ium-1-yl)propan-2-yl] thiophene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methylpiperidin-1-ium-1-yl)ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [(2S)-1-(4-methyl-1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylpiperidin-1-ium-1-yl)propan-2-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [(1S)-1-methyl-2-(4-methylpiperidin-1-ium-1-yl)ethyl] ester Formula: C14H22NO2S+ MolecularWeight: 268.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(C)OC(=O)C2=CC=CS2

Isomeric SMILES

CC1CC[NH+](CC1)C[C@H](C)OC(=O)C2=CC=CS2

InChI

InChI=1S/C14H21NO2S/c1-11-5-7-15(8-6-11)10-12(2)17-14(16)13-4-3-9-18-13/h3-4,9,11-12H,5-8,10H2,1-2H3/p+1/t12-/m0/s1