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

Systemtic Name: methyl 4-(4-methoxyphenyl)-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H24N2O4S/c1-25-15-8-6-14(7-9-15)16-13-27-19(18(16)20(24)26-2)21-17(23)12-22-10-4-3-5-11-22/h6-9,13H,3-5,10-12H2,1-2H3,(H,21,23)/p+1