methyl 2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H27N2O3S+ MolecularWeight: 339.47288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CC(CC(C2)C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2C[C@@H](C[C@H](C2)C)C)C(=O)OC

InChI

InChI=1S/C17H26N2O3S/c1-5-13-7-14(17(21)22-4)16(23-13)18-15(20)10-19-8-11(2)6-12(3)9-19/h7,11-12H,5-6,8-10H2,1-4H3,(H,18,20)/p+1/t11-,12-/m1/s1