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

Systemtic Name: 1-[(3-methylpyridin-4-yl)-thiophen-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methyl-4-pyridyl)-(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methyl-4-pyridinyl)-(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-4-yl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methyl-4-pyridyl)-(3-thienyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CSC=C2)N3CCC(CC3)C(=O)O

InChI

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