1-[(4-dimethylaminophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-[4-(methylthio)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-[4-(methylthio)phenyl]methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H28N2O2S/c1-23(2)19-10-6-16(7-11-19)21(17-8-12-20(27-3)13-9-17)24-14-4-5-18(15-24)22(25)26/h6-13,18,21H,4-5,14-15H2,1-3H3,(H,25,26)