2-piperazin-1-ylbenzoic acid trihydrate

Systemtic Name: 2-piperazin-1-ylbenzoic acid trihydrate Openeye Name: 2-piperazin-1-ylbenzoic acid trihydrate CAS Name: 2-(1-piperazinyl)benzoic acid trihydrate IUPAC Name: 2-piperazin-1-ylbenzoic acid trihydrate Traditional Name: 2-piperazinobenzoic acid trihydrate Formula: C11H20N2O5 MolecularWeight: 260.2869

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC=C2C(=O)O.O.O.O

Isomeric SMILES

C1CN(CCN1)C2=CC=CC=C2C(=O)O.O.O.O

InChI

InChI=1S/C11H14N2O2.3H2O/c14-11(15)9-3-1-2-4-10(9)13-7-5-12-6-8-13;;;/h1-4,12H,5-8H2,(H,14,15);3*1H2