[1-(cyclohexa-2,4-dien-1-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol

Systemtic Name: [1-(cyclohexa-2,4-dien-1-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol Openeye Name: [1-(cyclohexa-2,4-dien-1-ylmethyl)-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol CAS Name: [1-(1-cyclohexa-2,4-dienylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol IUPAC Name: [1-(cyclohexa-2,4-dien-1-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol Traditional Name: [1-(cyclohexa-2,4-dien-1-ylmethyl)-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol Formula: C26H31N2O+ MolecularWeight: 387.53714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5CC=CC=C5

Isomeric SMILES

C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5CC=CC=C5

InChI

InChI=1S/C26H31N2O/c1-2-20-18-28(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/h2-8,10-12,14,19-21,25-26,29H,1,9,13,15-18H2/q+1