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

Systemtic Name: ethanedioic acid; 1-methyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]piperazine Openeye Name: 1-methyl-4-[1-[(4-methylsulfanylphenyl)methyl]-4-piperidyl]piperazine; oxalic acid CAS Name: 1-methyl-4-[1-[[4-(methylthio)phenyl]methyl]-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-methyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]piperazine; oxalic acid Traditional Name: 1-methyl-4-[1-[4-(methylthio)benzyl]-4-piperidyl]piperazine; oxalic acid Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H29N3S.C2H2O4/c1-19-11-13-21(14-12-19)17-7-9-20(10-8-17)15-16-3-5-18(22-2)6-4-16;3-1(4)2(5)6/h3-6,17H,7-15H2,1-2H3;(H,3,4)(H,5,6)