sodium 4-piperazin-1-ylbenzoate hydrate

Systemtic Name: sodium 4-piperazin-1-ylbenzoate hydrate Openeye Name: sodium 4-piperazin-1-ylbenzoate hydrate CAS Name: sodium 4-(1-piperazinyl)benzoate hydrate IUPAC Name: sodium 4-piperazin-1-ylbenzoate hydrate Traditional Name: sodium 4-piperazinobenzoate hydrate Formula: C11H15N2NaO3 MolecularWeight: 246.23817

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)C(=O)[O-].O.[Na+]

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)C(=O)[O-].O.[Na+]

InChI

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