methyl 4-(4-methoxyphenyl)-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C19H23N2O4S+ MolecularWeight: 375.46192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C19H22N2O4S/c1-24-14-7-5-13(6-8-14)15-12-26-18(17(15)19(23)25-2)20-16(22)11-21-9-3-4-10-21/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,22)/p+1