5,6-bis(chloranyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione

Systemtic Name: 5,6-bis(chloranyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Openeye Name: 5,6-dichloro-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-dione CAS Name: 5,6-dichloro-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]isoindole-1,3-dione IUPAC Name: 5,6-dichloro-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Traditional Name: 5,6-dichloro-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C19H18Cl2N3O2+ MolecularWeight: 391.27112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C19H17Cl2N3O2/c20-16-10-14-15(11-17(16)21)19(26)24(18(14)25)12-22-6-8-23(9-7-22)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2/p+1