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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H19BrN2O2S/c1-11-2-3-13(19-10-11)16(14-4-5-15(18)23-14)20-8-6-12(7-9-20)17(21)22/h2-5,10,12,16H,6-9H2,1H3,(H,21,22)