4-nitro-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C18H19N5O4+2 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H17N5O4/c24-17-13-4-3-5-14(23(26)27)16(13)18(25)22(17)12-20-8-10-21(11-9-20)15-6-1-2-7-19-15/h1-7H,8-12H2/p+2