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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-bromanylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-bromothiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-thienyl)methyl]isonipecotic acid Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=C(S4)Br

InChI

InChI=1S/C18H18BrNO4S/c19-16-4-3-15(25-16)17(20-7-5-11(6-8-20)18(21)22)12-1-2-13-14(9-12)24-10-23-13/h1-4,9,11,17H,5-8,10H2,(H,21,22)