1-[(3-methylpyridin-2-yl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methylpyridin-2-yl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-2-pyridyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-2-pyridinyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-2-yl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-2-pyridyl)-(3-thienyl)methyl]nipecotic acid Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(C2=CSC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)C(C2=CSC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C17H20N2O2S/c1-12-4-2-7-18-15(12)16(14-6-9-22-11-14)19-8-3-5-13(10-19)17(20)21/h2,4,6-7,9,11,13,16H,3,5,8,10H2,1H3,(H,20,21)