ethanedioic acid; 3-[1-[2-(2-phenylsulfanylethoxy)ethyl]piperidin-2-yl]pyridine

Systemtic Name: ethanedioic acid; 3-[1-[2-(2-phenylsulfanylethoxy)ethyl]piperidin-2-yl]pyridine Openeye Name: oxalic acid; 3-[1-[2-(2-phenylsulfanylethoxy)ethyl]-2-piperidyl]pyridine CAS Name: oxalic acid; 3-[1-[2-[2-(phenylthio)ethoxy]ethyl]-2-piperidinyl]pyridine IUPAC Name: oxalic acid; 3-[1-[2-(2-phenylsulfanylethoxy)ethyl]piperidin-2-yl]pyridine Traditional Name: oxalic acid; 3-[1-[2-[2-(phenylthio)ethoxy]ethyl]-2-piperidyl]pyridine Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)CCOCCSC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)CCOCCSC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N2OS.C2H2O4/c1-2-8-19(9-3-1)24-16-15-23-14-13-22-12-5-4-10-20(22)18-7-6-11-21-17-18;3-1(4)2(5)6/h1-3,6-9,11,17,20H,4-5,10,12-16H2;(H,3,4)(H,5,6)