ethyl (3S)-1-[(5-ethanoylthiophen-3-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(5-ethanoylthiophen-3-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(5-acetyl-3-thienyl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(5-acetyl-3-thiophenyl)methyl]-3-(2-phenoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(5-acetylthiophen-3-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(5-acetyl-3-thienyl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H30NO4S+ MolecularWeight: 416.5536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CSC(=C2)C(=O)C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CSC(=C2)C(=O)C)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H29NO4S/c1-3-27-22(26)23(11-13-28-20-8-5-4-6-9-20)10-7-12-24(17-23)15-19-14-21(18(2)25)29-16-19/h4-6,8-9,14,16H,3,7,10-13,15,17H2,1-2H3/p+1/t23-/m0/s1