ethanedioic acid; 1-[(4-methylsulfanylphenyl)methyl]-4-pyrrolidin-1-yl-piperidine

Systemtic Name: ethanedioic acid; 1-[(4-methylsulfanylphenyl)methyl]-4-pyrrolidin-1-yl-piperidine Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-pyrrolidin-1-yl-piperidine; oxalic acid CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-(1-pyrrolidinyl)piperidine; oxalic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-pyrrolidin-1-ylpiperidine; oxalic acid Traditional Name: 1-[4-(methylthio)benzyl]-4-pyrrolidino-piperidine; oxalic acid Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCC(CC2)N3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCC(CC2)N3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N2S.C2H2O4/c1-20-17-6-4-15(5-7-17)14-18-12-8-16(9-13-18)19-10-2-3-11-19;3-1(4)2(5)6/h4-7,16H,2-3,8-14H2,1H3;(H,3,4)(H,5,6)