[1-[(2-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-yl]-diphenyl-methanol

Systemtic Name: [1-[(2-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-yl]-diphenyl-methanol Openeye Name: [1-[(2-nitrophenyl)methyl]quinuclidin-1-ium-3-yl]-diphenyl-methanol CAS Name: [1-[(2-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-yl]-diphenylmethanol IUPAC Name: [1-[(2-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-yl]-diphenylmethanol Traditional Name: [1-(2-nitrobenzyl)quinuclidin-1-ium-3-yl]-diphenyl-methanol Formula: C27H29N2O3+ MolecularWeight: 429.53076

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1C[N+]2(CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C27H29N2O3/c30-27(23-10-3-1-4-11-23,24-12-5-2-6-13-24)25-20-29(17-15-21(25)16-18-29)19-22-9-7-8-14-26(22)28(31)32/h1-14,21,25,30H,15-20H2/q+1