5,6-bis(chloranyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 5,6-bis(chloranyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 5,6-dichloro-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 5,6-dichloro-2-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 5,6-dichloro-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]isoindole-1,3-dione Traditional Name: 5,6-dichloro-2-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]isoindoline-1,3-quinone Formula: C15H16Cl2N3O3+ MolecularWeight: 357.21184

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl

InChI

InChI=1S/C15H15Cl2N3O3/c1-18-2-4-19(5-3-18)13(21)8-20-14(22)9-6-11(16)12(17)7-10(9)15(20)23/h6-7H,2-5,8H2,1H3/p+1