ethyl 4-cyclopropyl-2-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-cyclopropyl-2-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+]3CCCC3C4=CC=CN4C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+]3CCC[C@@H]3C4=CC=CN4C

InChI

InChI=1S/C21H27N3O3S/c1-3-27-21(26)19-15(14-8-9-14)13-28-20(19)22-18(25)12-24-11-5-7-17(24)16-6-4-10-23(16)2/h4,6,10,13-14,17H,3,5,7-9,11-12H2,1-2H3,(H,22,25)/p+1/t17-/m1/s1