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

Systemtic Name: ethanedioic acid; 1-[(4-methylsulfanylphenyl)methyl]-4-propan-2-yl-piperazine Openeye Name: 1-isopropyl-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-propan-2-ylpiperazine; oxalic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-propan-2-ylpiperazine; oxalic acid Traditional Name: 1-isopropyl-4-[4-(methylthio)benzyl]piperazine; oxalic acid Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)CC2=CC=C(C=C2)SC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)N1CCN(CC1)CC2=CC=C(C=C2)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H24N2S.C2H2O4/c1-13(2)17-10-8-16(9-11-17)12-14-4-6-15(18-3)7-5-14;3-1(4)2(5)6/h4-7,13H,8-12H2,1-3H3;(H,3,4)(H,5,6)