ethanedioic acid; 1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: ethanedioic acid; 1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide; oxalic acid CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-piperidinecarboxamide; oxalic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide; oxalic acid Traditional Name: 1-[4-(methylthio)benzyl]isonipecotamide; oxalic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCC(CC2)C(=O)N.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCC(CC2)C(=O)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20N2OS.C2H2O4/c1-18-13-4-2-11(3-5-13)10-16-8-6-12(7-9-16)14(15)17;3-1(4)2(5)6/h2-5,12H,6-10H2,1H3,(H2,15,17);(H,3,4)(H,5,6)