3,5-bis[[3-(diphenylmethyl)imidazol-1-ium-1-yl]methyl]-1,2-diaza-4-azanidacyclopenta-2,5-diene hydroxide

Systemtic Name: 3,5-bis[[3-(diphenylmethyl)imidazol-1-ium-1-yl]methyl]-1,2-diaza-4-azanidacyclopenta-2,5-diene hydroxide Openeye Name: 3,5-bis[(3-benzhydrylimidazol-1-ium-1-yl)methyl]-1,2-diaza-4-azanidacyclopenta-2,5-diene hydroxide CAS Name: 3,5-bis[[3-(diphenylmethyl)-1-imidazol-1-iumyl]methyl]-1,2-diaza-4-azanidacyclopenta-2,5-diene hydroxide IUPAC Name: 3,5-bis[(3-benzhydrylimidazol-1-ium-1-yl)methyl]-1,2-diaza-4-azanidacyclopenta-2,5-diene hydroxide Traditional Name: 3,5-bis[(3-benzhydrylimidazol-1-ium-1-yl)methyl]-1,2-diaza-4-azanidacyclopenta-2,5-diene hydroxide Formula: C36H33N7O MolecularWeight: 579.69352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=C[N+](=C3)CC4=NN=C([N-]4)C[N+]5=CN(C=C5)C(C6=CC=CC=C6)C7=CC=CC=C7.[OH-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=C[N+](=C3)CC4=NN=C([N-]4)C[N+]5=CN(C=C5)C(C6=CC=CC=C6)C7=CC=CC=C7.[OH-]

InChI

InChI=1S/C36H32N7.H2O/c1-5-13-29(14-6-1)35(30-15-7-2-8-16-30)42-23-21-40(27-42)25-33-37-34(39-38-33)26-41-22-24-43(28-41)36(31-17-9-3-10-18-31)32-19-11-4-12-20-32;/h1-24,27-28,35-36H,25-26H2;1H2/q+1;/p-1