1-[(4-dimethylaminophenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(5-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(5-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(5-methyl-2-thienyl)methyl]isonipecotic acid Formula: C20H26N2O2S MolecularWeight: 358.49764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H26N2O2S/c1-14-4-9-18(25-14)19(15-5-7-17(8-6-15)21(2)3)22-12-10-16(11-13-22)20(23)24/h4-9,16,19H,10-13H2,1-3H3,(H,23,24)