1-[(5-bromanylthiophen-2-yl)-(6-methylpyridin-2-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(6-methylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(6-methyl-2-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(6-methyl-2-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(6-methylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(6-methyl-2-pyridyl)methyl]pipecolinic acid Formula: C17H19BrN2O2S MolecularWeight: 395.31396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C(C2=CC=C(S2)Br)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=NC(=CC=C1)C(C2=CC=C(S2)Br)N3CCCCC3C(=O)O

InChI

InChI=1S/C17H19BrN2O2S/c1-11-5-4-6-12(19-11)16(14-8-9-15(18)23-14)20-10-3-2-7-13(20)17(21)22/h4-6,8-9,13,16H,2-3,7,10H2,1H3,(H,21,22)