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

Systemtic Name: 3-chloranyl-1-(4-iodophenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(4-iodophenyl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(4-iodophenyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(4-iodophenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(4-iodophenyl)-3-pyrroline-2,5-quinone Formula: C21H20ClIN3O2+ MolecularWeight: 508.75987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClIN3O2/c22-18-19(21(28)26(20(18)27)17-8-6-16(23)7-9-17)25-12-10-24(11-13-25)14-15-4-2-1-3-5-15/h1-9H,10-14H2/p+1