ethyl (3S)-1-[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H29N2O5S+ MolecularWeight: 445.55176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H28N2O5S/c1-3-29-22(27)17-11-8-12-25(13-17)14-19(26)24-21-20(23(28)30-4-2)18(15-31-21)16-9-6-5-7-10-16/h5-7,9-10,15,17H,3-4,8,11-14H2,1-2H3,(H,24,26)/p+1/t17-/m0/s1