2-[4-(cyanomethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(cyanomethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(cyanomethyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(cyanomethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(cyanomethyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(cyanomethyl)piperazino]acetic acid Formula: C8H13N3O2 MolecularWeight: 183.20772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#N)CC(=O)O

Isomeric SMILES

C1CN(CCN1CC#N)CC(=O)O

InChI

InChI=1S/C8H13N3O2/c9-1-2-10-3-5-11(6-4-10)7-8(12)13/h2-7H2,(H,12,13)