[2-[(1-ethylpiperidin-1-ium-4-yl)amino]-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: [2-[(1-ethylpiperidin-1-ium-4-yl)amino]-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [2-[(1-ethylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid [2-[(1-ethyl-4-piperidin-1-iumyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-ethylpiperidin-1-ium-4-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [2-[(1-ethylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl] ester Formula: C17H27N2O3S+ MolecularWeight: 339.47288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC(=O)NC2CC[NH+](CC2)CC)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC(=O)NC2CC[NH+](CC2)CC)C

InChI

InChI=1S/C17H26N2O3S/c1-4-14-12(3)10-15(23-14)17(21)22-11-16(20)18-13-6-8-19(5-2)9-7-13/h10,13H,4-9,11H2,1-3H3,(H,18,20)/p+1