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

Systemtic Name: ethyl 4-(4-phenylphenyl)-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-phenylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-4-(4-phenylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-phenylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-phenylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H29N2O3S+ MolecularWeight: 449.58506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C[NH+]4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C26H28N2O3S/c1-2-31-26(30)24-22(21-13-11-20(12-14-21)19-9-5-3-6-10-19)18-32-25(24)27-23(29)17-28-15-7-4-8-16-28/h3,5-6,9-14,18H,2,4,7-8,15-17H2,1H3,(H,27,29)/p+1