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

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-(5-bromo-2-thienyl)butanoyl]piperidine-3-carboxylic acid CAS Name: 1-[4-(5-bromo-2-thiophenyl)-1-oxobutyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-(5-bromo-2-thienyl)butanoyl]nipecotic acid Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCCC2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CCCC2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C14H18BrNO3S/c15-12-7-6-11(20-12)4-1-5-13(17)16-8-2-3-10(9-16)14(18)19/h6-7,10H,1-5,8-9H2,(H,18,19)