1-[1-(5-bromanylthiophen-2-yl)ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(5-bromanylthiophen-2-yl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(5-bromo-2-thienyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(5-bromo-2-thiophenyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(5-bromothiophen-2-yl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(5-bromo-2-thienyl)ethyl]nipecotic acid Formula: C12H16BrNO2S MolecularWeight: 318.22994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(S1)Br)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC(C1=CC=C(S1)Br)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C12H16BrNO2S/c1-8(10-4-5-11(13)17-10)14-6-2-3-9(7-14)12(15)16/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,16)