(1,1-dimethylpiperidin-1-ium-4-yl) 1-thiophen-2-ylcycloheptane-1-carboxylate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 1-thiophen-2-ylcycloheptane-1-carboxylate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 1-(2-thienyl)cycloheptanecarboxylate CAS Name: 1-thiophen-2-yl-1-cycloheptanecarboxylic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 1-thiophen-2-ylcycloheptane-1-carboxylate Traditional Name: 1-(2-thienyl)cycloheptanecarboxylic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C19H30NO2S+ MolecularWeight: 336.512

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)C2(CCCCCC2)C3=CC=CS3)C

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)C2(CCCCCC2)C3=CC=CS3)C

InChI

InChI=1S/C19H30NO2S/c1-20(2)13-9-16(10-14-20)22-18(21)19(17-8-7-15-23-17)11-5-3-4-6-12-19/h7-8,15-16H,3-6,9-14H2,1-2H3/q+1