[1-[(5-nitrofuran-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol

Systemtic Name: [1-[(5-nitrofuran-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol Openeye Name: [1-[(5-nitro-2-furyl)methyl]quinuclidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[(5-nitro-2-furanyl)methyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol IUPAC Name: [1-[(5-nitrofuran-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol Traditional Name: [1-[(5-nitro-2-furyl)methyl]quinuclidin-1-ium-4-yl]-diphenyl-methanol Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC5=CC=C(O5)[N+](=O)[O-]

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC5=CC=C(O5)[N+](=O)[O-]

InChI

InChI=1S/C25H27N2O4/c28-25(20-7-3-1-4-8-20,21-9-5-2-6-10-21)24-13-16-27(17-14-24,18-15-24)19-22-11-12-23(31-22)26(29)30/h1-12,28H,13-19H2/q+1