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

Systemtic Name: 1-[(3-methylpyridin-4-yl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methyl-4-pyridyl)-(4-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methyl-4-pyridinyl)-(4-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-4-yl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methyl-4-pyridyl)-(4-methyl-2-thienyl)methyl]isonipecotic acid Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S/c1-12-9-16(23-11-12)17(15-3-6-19-10-13(15)2)20-7-4-14(5-8-20)18(21)22/h3,6,9-11,14,17H,4-5,7-8H2,1-2H3,(H,21,22)