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

Systemtic Name: 1-[(3-methylpyridin-4-yl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-4-pyridyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-4-pyridinyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-4-yl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-4-pyridyl)-(3-thienyl)methyl]nipecotic acid Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CSC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CSC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C17H20N2O2S/c1-12-9-18-6-4-15(12)16(14-5-8-22-11-14)19-7-2-3-13(10-19)17(20)21/h4-6,8-9,11,13,16H,2-3,7,10H2,1H3,(H,20,21)