ethanedioic acid; 1-methyl-4-(2-phenylsulfanylphenoxy)piperidine

Systemtic Name: ethanedioic acid; 1-methyl-4-(2-phenylsulfanylphenoxy)piperidine Openeye Name: 1-methyl-4-(2-phenylsulfanylphenoxy)piperidine; oxalic acid CAS Name: 1-methyl-4-[2-(phenylthio)phenoxy]piperidine; oxalic acid IUPAC Name: 1-methyl-4-(2-phenylsulfanylphenoxy)piperidine; oxalic acid Traditional Name: 1-methyl-4-[2-(phenylthio)phenoxy]piperidine; oxalic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC2=CC=CC=C2SC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)OC2=CC=CC=C2SC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21NOS.C2H2O4/c1-19-13-11-15(12-14-19)20-17-9-5-6-10-18(17)21-16-7-3-2-4-8-16;3-1(4)2(5)6/h2-10,15H,11-14H2,1H3;(H,3,4)(H,5,6)