3-[4-[(5-bromanylthiophen-3-yl)methyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(5-bromanylthiophen-3-yl)methyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(5-bromo-3-thienyl)methyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-bromo-3-thiophenyl)methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(5-bromothiophen-3-yl)methyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[(5-bromo-3-thienyl)methyl]piperazino]propionic acid Formula: C12H17BrN2O2S MolecularWeight: 333.24458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)CC2=CSC(=C2)Br

Isomeric SMILES

C1CN(CCN1CCC(=O)O)CC2=CSC(=C2)Br

InChI

InChI=1S/C12H17BrN2O2S/c13-11-7-10(9-18-11)8-15-5-3-14(4-6-15)2-1-12(16)17/h7,9H,1-6,8H2,(H,16,17)