3-azanyl-2-piperazin-4-ium-1-yl-benzoate

Systemtic Name: 3-azanyl-2-piperazin-4-ium-1-yl-benzoate Openeye Name: 3-amino-2-piperazin-4-ium-1-yl-benzoate CAS Name: 3-amino-2-(1-piperazin-4-iumyl)benzoate IUPAC Name: 3-amino-2-piperazin-4-ium-1-ylbenzoate Traditional Name: 3-amino-2-piperazin-4-ium-1-yl-benzoate Formula: C11H15N3O2 MolecularWeight: 221.2557

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=CC=C2N)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=CC=C2N)C(=O)[O-]

InChI

InChI=1S/C11H15N3O2/c12-9-3-1-2-8(11(15)16)10(9)14-6-4-13-5-7-14/h1-3,13H,4-7,12H2,(H,15,16)