3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(4-methylsulfanylphenyl)methyl]-1-(2-methoxyethyl)-6-methyl-4-oxidanylidene-pyridin-2-olate

Systemtic Name: 3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(4-methylsulfanylphenyl)methyl]-1-(2-methoxyethyl)-6-methyl-4-oxidanylidene-pyridin-2-olate Openeye Name: 3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(4-methylsulfanylphenyl)methyl]-1-(2-methoxyethyl)-6-methyl-4-oxo-pyridin-2-olate CAS Name: 3-[(R)-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-[4-(methylthio)phenyl]methyl]-1-(2-methoxyethyl)-6-methyl-4-oxo-2-pyridinolate IUPAC Name: 3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(4-methylsulfanylphenyl)methyl]-1-(2-methoxyethyl)-6-methyl-4-oxopyridin-2-olate Traditional Name: 3-[(R)-(4-carbethoxypiperidin-1-ium-1-yl)-[4-(methylthio)phenyl]methyl]-4-keto-1-(2-methoxyethyl)-6-methyl-pyridin-2-olate Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C2=CC=C(C=C2)SC)C3=C(N(C(=CC3=O)C)CCOC)[O-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C2=CC=C(C=C2)SC)C3=C(N(C(=CC3=O)C)CCOC)[O-]

InChI

InChI=1S/C25H34N2O5S/c1-5-32-25(30)19-10-12-26(13-11-19)23(18-6-8-20(33-4)9-7-18)22-21(28)16-17(2)27(24(22)29)14-15-31-3/h6-9,16,19,23,29H,5,10-15H2,1-4H3/t23-/m1/s1