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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-methylpyridin-4-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3-methyl-4-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-methyl-4-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-methylpyridin-4-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3-methyl-4-pyridyl)methyl]pipecolinic acid Formula: C17H19BrN2O2S MolecularWeight: 395.31396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O2S/c1-11-10-19-8-7-12(11)16(14-5-6-15(18)23-14)20-9-3-2-4-13(20)17(21)22/h5-8,10,13,16H,2-4,9H2,1H3,(H,21,22)