1-[(3-methylpyridin-4-yl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methylpyridin-4-yl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methyl-4-pyridyl)-(5-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methyl-4-pyridinyl)-(5-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-4-yl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methyl-4-pyridyl)-(5-methyl-2-thienyl)methyl]isonipecotic acid Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=C(C=NC=C2)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=C(C=NC=C2)C)N3CCC(CC3)C(=O)O

InChI

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