[5-ethenyl-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol

Systemtic Name: [5-ethenyl-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol Openeye Name: (1-benzyl-5-vinyl-quinuclidin-1-ium-2-yl)-(4-quinolyl)methanol CAS Name: [5-ethenyl-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol IUPAC Name: (1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol Traditional Name: (1-benzyl-5-vinyl-quinuclidin-1-ium-2-yl)-(4-quinolyl)methanol Formula: C52H58N4O2+2 MolecularWeight: 771.04252

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5.C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5

Isomeric SMILES

C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5.C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5

InChI

InChI=1S/2C26H29N2O/c2*1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24/h2*2-12,14,20-21,25-26,29H,1,13,15-18H2/q2*+1