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

Systemtic Name: ethyl 2-[[(2R)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-ethanoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2R)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2R)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-oxo-2-phenylethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2R)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-2-phenylacetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2R)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31N2O3S+ MolecularWeight: 463.61164

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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+]4CCCC(C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)[C@@H](C3=CC=CC=C3)[NH+]4CCC[C@H](C4)C

InChI

InChI=1S/C27H30N2O3S/c1-3-32-27(31)22-17-23(20-12-6-4-7-13-20)33-26(22)28-25(30)24(21-14-8-5-9-15-21)29-16-10-11-19(2)18-29/h4-9,12-15,17,19,24H,3,10-11,16,18H2,1-2H3,(H,28,30)/p+1/t19-,24-/m1/s1