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

Systemtic Name: 5,6-bis(chloranyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Openeye Name: 5,6-dichloro-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-dione CAS Name: 5,6-dichloro-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 5,6-dichloro-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Traditional Name: 5,6-dichloro-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C18H18Cl2N4O2+2 MolecularWeight: 393.26712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H16Cl2N4O2/c19-14-9-12-13(10-15(14)20)18(26)24(17(12)25)11-22-5-7-23(8-6-22)16-3-1-2-4-21-16/h1-4,9-10H,5-8,11H2/p+2