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

Systemtic Name: 3-chloranyl-1-(phenylmethyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-pyrrole-2,5-dione CAS Name: 3-chloro-1-(phenylmethyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4-benzylpiperazin-4-ium-1-yl)-4-chloropyrrole-2,5-dione Traditional Name: 1-benzyl-3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-3-pyrroline-2,5-quinone Formula: C22H23ClN3O2+ MolecularWeight: 396.88992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O2/c23-19-20(22(28)26(21(19)27)16-18-9-5-2-6-10-18)25-13-11-24(12-14-25)15-17-7-3-1-4-8-17/h1-10H,11-16H2/p+1