2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C27H25N4O5+ MolecularWeight: 485.5112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H24N4O5/c32-23(18-30-26(33)21-12-7-13-22(31(35)36)24(21)27(30)34)28-14-16-29(17-15-28)25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,25H,14-18H2/p+1