1-(cyclohex-3-en-1-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-(cyclohex-3-en-1-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(cyclohex-3-en-1-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(1-cyclohex-3-enylmethyl)-4-[[4-(methylthio)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-(cyclohex-3-en-1-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(cyclohex-3-en-1-ylmethyl)-4-[4-(methylthio)benzyl]piperazine; oxalic acid Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3CCC=CC3.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3CCC=CC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2S.C2H2O4/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17;3-1(4)2(5)6/h2-3,7-10,17H,4-6,11-16H2,1H3;(H,3,4)(H,5,6)