ethyl (3S)-3-(2-methoxyethyl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-(2-methoxyethyl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-(2-methoxyethyl)-1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-(2-methoxyethyl)-1-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-(2-methoxyethyl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-(2-methoxyethyl)-1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H29N2O4S+ MolecularWeight: 393.52026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=C(OC(=N2)C3=CC=CS3)C)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=C(OC(=N2)C3=CC=CS3)C)CCOC

InChI

InChI=1S/C20H28N2O4S/c1-4-25-19(23)20(9-11-24-3)8-6-10-22(14-20)13-16-15(2)26-18(21-16)17-7-5-12-27-17/h5,7,12H,4,6,8-11,13-14H2,1-3H3/p+1/t20-/m0/s1