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

Systemtic Name: 1-[(4-dimethylaminophenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(3-thienyl)methyl]nipecotic acid Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O2S/c1-20(2)17-7-5-14(6-8-17)18(16-9-11-24-13-16)21-10-3-4-15(12-21)19(22)23/h5-9,11,13,15,18H,3-4,10,12H2,1-2H3,(H,22,23)