(2R)-2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]-2-(4-methylsulfanylphenyl)ethanoate

Systemtic Name: (2R)-2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]-2-(4-methylsulfanylphenyl)ethanoate Openeye Name: (2R)-2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]-2-(4-methylsulfanylphenyl)acetate CAS Name: (2R)-2-[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]-2-[4-(methylthio)phenyl]acetate IUPAC Name: (2R)-2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]-2-(4-methylsulfanylphenyl)acetate Traditional Name: (2R)-2-[(3S)-3-carbethoxypiperidin-1-ium-1-yl]-2-[4-(methylthio)phenyl]acetate Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C2=CC=C(C=C2)SC)C(=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@H](C2=CC=C(C=C2)SC)C(=O)[O-]

InChI

InChI=1S/C17H23NO4S/c1-3-22-17(21)13-5-4-10-18(11-13)15(16(19)20)12-6-8-14(23-2)9-7-12/h6-9,13,15H,3-5,10-11H2,1-2H3,(H,19,20)/t13-,15+/m0/s1