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

Systemtic Name: (3S)-1-[(4-bromanylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(4-bromo-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(4-bromo-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(4-bromothiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(4-bromo-2-thienyl)methyl]nipecotic acid Formula: C11H14BrNO2S MolecularWeight: 304.20336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC(=CS2)Br)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC(=CS2)Br)C(=O)O

InChI

InChI=1S/C11H14BrNO2S/c12-9-4-10(16-7-9)6-13-3-1-2-8(5-13)11(14)15/h4,7-8H,1-3,5-6H2,(H,14,15)/t8-/m0/s1