4-(phenylmethyl)piperazin-4-ium-2,6-dione

Systemtic Name: 4-(phenylmethyl)piperazin-4-ium-2,6-dione Openeye Name: 4-benzylpiperazin-4-ium-2,6-dione CAS Name: 4-(phenylmethyl)piperazin-4-ium-2,6-dione IUPAC Name: 4-benzylpiperazin-4-ium-2,6-dione Traditional Name: 4-benzylpiperazin-4-ium-2,6-quinone Formula: C11H13N2O2+ MolecularWeight: 205.23312

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=O)C[NH+]1CC2=CC=CC=C2

Isomeric SMILES

C1C(=O)NC(=O)C[NH+]1CC2=CC=CC=C2

InChI

InChI=1S/C11H12N2O2/c14-10-7-13(8-11(15)12-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,14,15)/p+1