3-chloranyl-1-(4-iodanyl-2-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(4-iodanyl-2-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-1-(4-iodo-2-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(4-iodo-2-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(4-iodo-2-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-1-(4-iodo-2-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C16H18ClIN3O2+ MolecularWeight: 446.69049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)I)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H17ClIN3O2/c1-10-9-11(18)3-4-12(10)21-15(22)13(17)14(16(21)23)20-7-5-19(2)6-8-20/h3-4,9H,5-8H2,1-2H3/p+1