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

Systemtic Name: 3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)-1-(4-iodophenyl)pyrrole-2,5-dione Openeye Name: 3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-1-(4-iodophenyl)pyrrole-2,5-dione CAS Name: 3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)-1-(4-iodophenyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-1-(4-iodophenyl)pyrrole-2,5-dione Traditional Name: 3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-1-(4-iodophenyl)-3-pyrroline-2,5-quinone Formula: C16H18ClIN3O2+ MolecularWeight: 446.69049

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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