3-chloranyl-1-(4-iodophenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(4-iodophenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-1-(4-iodophenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(4-iodophenyl)-4-(4-methyl-1-piperazin-4-iumyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(4-iodophenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-1-(4-iodophenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C15H16ClIN3O2+ MolecularWeight: 432.66391

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)I)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)I)Cl

InChI

InChI=1S/C15H15ClIN3O2/c1-18-6-8-19(9-7-18)13-12(16)14(21)20(15(13)22)11-4-2-10(17)3-5-11/h2-5H,6-9H2,1H3/p+1