ethyl 4-(4-methylphenyl)-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-piperidin-1-ium-1-ylacetyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(2-piperidin-1-ium-1-ylacetyl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C21H26N2O3S/c1-3-26-21(25)19-17(16-9-7-15(2)8-10-16)14-27-20(19)22-18(24)13-23-11-5-4-6-12-23/h7-10,14H,3-6,11-13H2,1-2H3,(H,22,24)/p+1