4-nitro-2-(2-piperazine-1,4-diium-1-ylethyl)isoindole-1,3-dione

Systemtic Name: 4-nitro-2-(2-piperazine-1,4-diium-1-ylethyl)isoindole-1,3-dione Openeye Name: 4-nitro-2-(2-piperazine-1,4-diium-1-ylethyl)isoindoline-1,3-dione CAS Name: 4-nitro-2-[2-(1-piperazine-1,4-diiumyl)ethyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-(2-piperazine-1,4-diium-1-ylethyl)isoindole-1,3-dione Traditional Name: 4-nitro-2-(2-piperazine-1,4-diium-1-ylethyl)isoindoline-1,3-quinone Formula: C14H18N4O4+2 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O4/c19-13-10-2-1-3-11(18(21)22)12(10)14(20)17(13)9-8-16-6-4-15-5-7-16/h1-3,15H,4-9H2/p+2