ethanedioic acid; 2-[4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: ethanedioic acid; 2-[4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[1-[(4-methylsulfanylphenyl)methyl]-4-piperidyl]piperazin-1-yl]ethanol; oxalic acid CAS Name: 2-[4-[1-[[4-(methylthio)phenyl]methyl]-4-piperidinyl]-1-piperazinyl]ethanol; oxalic acid IUPAC Name: 2-[4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol; oxalic acid Traditional Name: 2-[4-[1-[4-(methylthio)benzyl]-4-piperidyl]piperazino]ethanol; oxalic acid Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCC(CC2)N3CCN(CC3)CCO.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCC(CC2)N3CCN(CC3)CCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H31N3OS.C2H2O4/c1-24-19-4-2-17(3-5-19)16-21-8-6-18(7-9-21)22-12-10-20(11-13-22)14-15-23;3-1(4)2(5)6/h2-5,18,23H,6-16H2,1H3;(H,3,4)(H,5,6)