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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-methylpyridin-4-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3-methyl-4-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-methyl-4-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-methylpyridin-4-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3-methyl-4-pyridyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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