2-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C26H26N4O4+2 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O4/c31-25-21-12-7-13-22(30(33)34)23(21)26(32)29(25)18-27-14-16-28(17-15-27)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,24H,14-18H2/p+2