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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=C(C=CS2)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=C(C=CS2)C)N3CCC(CC3)C(=O)O

InChI

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