1-[(4-dimethylaminophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-[4-(methylthio)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-[4-(methylthio)phenyl]methyl]pipecolinic acid Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCCC3C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCCC3C(=O)O

InChI

InChI=1S/C22H28N2O2S/c1-23(2)18-11-7-16(8-12-18)21(17-9-13-19(27-3)14-10-17)24-15-5-4-6-20(24)22(25)26/h7-14,20-21H,4-6,15H2,1-3H3,(H,25,26)