3-chloranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-pyrrole-2,5-dione CAS Name: 3-chloro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloropyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-3-pyrroline-2,5-quinone Formula: C15H17ClN3O2+ MolecularWeight: 306.76738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)NC3=O)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)NC3=O)Cl

InChI

InChI=1S/C15H16ClN3O2/c16-12-13(15(21)17-14(12)20)19-8-6-18(7-9-19)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,20,21)/p+1