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

Systemtic Name: 5,6-bis(chloranyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 5,6-dichloro-2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 5,6-dichloro-2-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 5,6-dichloro-2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]isoindole-1,3-dione Traditional Name: 5,6-dichloro-2-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]isoindoline-1,3-quinone Formula: C16H18Cl2N3O3+ MolecularWeight: 371.23842

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl

InChI

InChI=1S/C16H17Cl2N3O3/c1-19-4-6-20(7-5-19)14(22)2-3-21-15(23)10-8-12(17)13(18)9-11(10)16(21)24/h8-9H,2-7H2,1H3/p+1