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

Systemtic Name: 4-nitro-2-[[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C19H20N5O4+ MolecularWeight: 382.3932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O4/c25-18-15-2-1-3-16(24(27)28)17(15)19(26)23(18)13-22-10-8-21(9-11-22)12-14-4-6-20-7-5-14/h1-7H,8-13H2/p+1