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

Systemtic Name: ethanedioic acid; 1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[1-[(4-methylsulfanylphenyl)methyl]-4-piperidyl]piperazine; oxalic acid CAS Name: 1-[1-[[4-(methylthio)phenyl]methyl]-4-piperidinyl]-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-[1-[4-(methylthio)benzyl]-4-piperidyl]piperazine; oxalic acid Formula: C26H35N3O4S MolecularWeight: 485.6388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCC(CC2)N3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCC(CC2)N3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H33N3S.C2H2O4/c1-28-24-9-7-22(8-10-24)20-25-13-11-23(12-14-25)27-17-15-26(16-18-27)19-21-5-3-2-4-6-21;3-1(4)2(5)6/h2-10,23H,11-20H2,1H3;(H,3,4)(H,5,6)