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

Systemtic Name: 5,6-bis(chloranyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Openeye Name: 5,6-dichloro-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-dione CAS Name: 5,6-dichloro-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 5,6-dichloro-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Traditional Name: 5,6-dichloro-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C17H16Cl2N5O2+ MolecularWeight: 393.24724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl)C4=NC=CC=N4

InChI

InChI=1S/C17H15Cl2N5O2/c18-13-8-11-12(9-14(13)19)16(26)24(15(11)25)10-22-4-6-23(7-5-22)17-20-2-1-3-21-17/h1-3,8-9H,4-7,10H2/p+1