ethyl 4,5-dimethyl-2-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H25N2O3S2+ MolecularWeight: 393.5434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+]2CCC[C@@H]2C3=CC=CS3

InChI

InChI=1S/C19H24N2O3S2/c1-4-24-19(23)17-12(2)13(3)26-18(17)20-16(22)11-21-9-5-7-14(21)15-8-6-10-25-15/h6,8,10,14H,4-5,7,9,11H2,1-3H3,(H,20,22)/p+1/t14-/m1/s1