6-oxidanidyl-2,9-bis(phenylmethoxy)-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium 5-oxide

Systemtic Name: 6-oxidanidyl-2,9-bis(phenylmethoxy)-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium 5-oxide Openeye Name: 2,9-dibenzyloxy-6-oxido-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium 5-oxide CAS Name: 6-oxido-2,9-bis(phenylmethoxy)-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium 5-oxide IUPAC Name: 6-oxido-2,9-bis(phenylmethoxy)-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium 5-oxide Traditional Name: 2,9-dibenzoxy-6-oxido-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium 5-oxide Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)OCC3=CC=CC=C3)[N+](=O)N(C4=C1C=C(C=C4)OCC5=CC=CC=C5)[O-]

Isomeric SMILES

C1CC2=C(C=CC(=C2)OCC3=CC=CC=C3)[N+](=O)N(C4=C1C=C(C=C4)OCC5=CC=CC=C5)[O-]

InChI

InChI=1S/C28H24N2O4/c31-29-27-15-13-25(33-19-21-7-3-1-4-8-21)17-23(27)11-12-24-18-26(14-16-28(24)30(29)32)34-20-22-9-5-2-6-10-22/h1-10,13-18H,11-12,19-20H2