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

Systemtic Name: ethyl (3S)-1-[(5-ethanoylthiophen-3-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(5-acetyl-3-thienyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(5-acetyl-3-thiophenyl)methyl]-3-(2-methoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(5-acetylthiophen-3-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(5-acetyl-3-thienyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28NO4S+ MolecularWeight: 354.48422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4S/c1-4-23-17(21)18(7-9-22-3)6-5-8-19(13-18)11-15-10-16(14(2)20)24-12-15/h10,12H,4-9,11,13H2,1-3H3/p+1/t18-/m0/s1