1-(4-chlorophenyl)-4-(phenylmethyl)piperazin-4-ium-2,6-dione

Systemtic Name: 1-(4-chlorophenyl)-4-(phenylmethyl)piperazin-4-ium-2,6-dione Openeye Name: 4-benzyl-1-(4-chlorophenyl)piperazin-4-ium-2,6-dione CAS Name: 1-(4-chlorophenyl)-4-(phenylmethyl)piperazin-4-ium-2,6-dione IUPAC Name: 4-benzyl-1-(4-chlorophenyl)piperazin-4-ium-2,6-dione Traditional Name: 4-benzyl-1-(4-chlorophenyl)piperazin-4-ium-2,6-quinone Formula: C17H16ClN2O2+ MolecularWeight: 315.77414

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)C[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C(=O)N(C(=O)C[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2O2/c18-14-6-8-15(9-7-14)20-16(21)11-19(12-17(20)22)10-13-4-2-1-3-5-13/h1-9H,10-12H2/p+1