ethyl (3R)-1-[2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[2-[(3-methoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-[(3-methoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-[(3-carbomethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H27N2O5S+ MolecularWeight: 383.48238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C18H26N2O5S/c1-5-25-17(22)13-7-6-8-20(9-13)10-14(21)19-16-15(18(23)24-4)11(2)12(3)26-16/h13H,5-10H2,1-4H3,(H,19,21)/p+1/t13-/m1/s1