1-[(3-methylpyridin-4-yl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methylpyridin-4-yl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-4-pyridyl)-(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-4-pyridinyl)-thiophen-2-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-4-yl)-thiophen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-4-pyridyl)-(2-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=CC=CS2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC=CS2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C17H20N2O2S/c1-12-10-18-7-6-14(12)16(15-5-3-9-22-15)19-8-2-4-13(11-19)17(20)21/h3,5-7,9-10,13,16H,2,4,8,11H2,1H3,(H,20,21)