ethyl 2-[2-[(2S)-2-(4-methylphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2S)-2-(4-methylphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(2S)-2-(p-tolyl)pyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[(2S)-2-(4-methylphenyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2S)-2-(4-methylphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(2S)-2-(p-tolyl)pyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C[NH+]2CCCC2C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c1-3-25-20(24)16-10-12-26-19(16)21-18(23)13-22-11-4-5-17(22)15-8-6-14(2)7-9-15/h6-10,12,17H,3-5,11,13H2,1-2H3,(H,21,23)/p+1/t17-/m0/s1