2-[4-[(5-bromanylthiophen-3-yl)methyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(5-bromanylthiophen-3-yl)methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(5-bromo-3-thienyl)methyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(5-bromo-3-thiophenyl)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(5-bromothiophen-3-yl)methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[(5-bromo-3-thienyl)methyl]piperazino]acetic acid Formula: C11H15BrN2O2S MolecularWeight: 319.218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC(=C2)Br)CC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CSC(=C2)Br)CC(=O)O

InChI

InChI=1S/C11H15BrN2O2S/c12-10-5-9(8-17-10)6-13-1-3-14(4-2-13)7-11(15)16/h5,8H,1-4,6-7H2,(H,15,16)