ethyl 2-[[(2R)-2-(4-aminocarbonylpiperidin-1-ium-1-yl)-2-phenyl-ethanoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2R)-2-(4-aminocarbonylpiperidin-1-ium-1-yl)-2-phenyl-ethanoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2R)-2-(4-carbamoylpiperidin-1-ium-1-yl)-2-phenyl-acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2R)-2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxo-2-phenylethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2R)-2-(4-carbamoylpiperidin-1-ium-1-yl)-2-phenylacetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2R)-2-(4-carbamoylpiperidin-1-ium-1-yl)-2-phenyl-acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H30N3O4S+ MolecularWeight: 492.6098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)[NH+]4CCC(CC4)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)[C@@H](C3=CC=CC=C3)[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C27H29N3O4S/c1-2-34-27(33)21-17-22(18-9-5-3-6-10-18)35-26(21)29-25(32)23(19-11-7-4-8-12-19)30-15-13-20(14-16-30)24(28)31/h3-12,17,20,23H,2,13-16H2,1H3,(H2,28,31)(H,29,32)/p+1/t23-/m1/s1