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

Systemtic Name: ethanedioic acid; 1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]-4-phenyl-piperazine Openeye Name: 1-[1-[(4-methylsulfanylphenyl)methyl]-4-piperidyl]-4-phenyl-piperazine; oxalic acid CAS Name: 1-[1-[[4-(methylthio)phenyl]methyl]-4-piperidinyl]-4-phenylpiperazine; oxalic acid IUPAC Name: 1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine; oxalic acid Traditional Name: 1-[1-[4-(methylthio)benzyl]-4-piperidyl]-4-phenyl-piperazine; oxalic acid Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31N3S.C2H2O4/c1-27-23-9-7-20(8-10-23)19-24-13-11-22(12-14-24)26-17-15-25(16-18-26)21-5-3-2-4-6-21;3-1(4)2(5)6/h2-10,22H,11-19H2,1H3;(H,3,4)(H,5,6)