ethyl 5-phenyl-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[(2-piperidin-1-ium-1-ylacetyl)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)C2=CC=CC=C2)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c1-2-25-20(24)16-13-17(15-9-5-3-6-10-15)26-19(16)21-18(23)14-22-11-7-4-8-12-22/h3,5-6,9-10,13H,2,4,7-8,11-12,14H2,1H3,(H,21,23)/p+1