ethanedioic acid; 1-(2-methoxyphenyl)-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]piperazine

Systemtic Name: ethanedioic acid; 1-(2-methoxyphenyl)-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[1-[(4-methylsulfanylphenyl)methyl]-4-piperidyl]piperazine; oxalic acid CAS Name: 1-(2-methoxyphenyl)-4-[1-[[4-(methylthio)phenyl]methyl]-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(2-methoxyphenyl)-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]piperazine; oxalic acid Traditional Name: 1-(2-methoxyphenyl)-4-[1-[4-(methylthio)benzyl]-4-piperidyl]piperazine; oxalic acid Formula: C26H35N3O5S MolecularWeight: 501.6382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)CC4=CC=C(C=C4)SC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)CC4=CC=C(C=C4)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H33N3OS.C2H2O4/c1-28-24-6-4-3-5-23(24)27-17-15-26(16-18-27)21-11-13-25(14-12-21)19-20-7-9-22(29-2)10-8-20;3-1(4)2(5)6/h3-10,21H,11-19H2,1-2H3;(H,3,4)(H,5,6)