(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-methoxy-1-(phenylmethyl)quinolin-1-ium-4-yl]methanol

Systemtic Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-methoxy-1-(phenylmethyl)quinolin-1-ium-4-yl]methanol Openeye Name: (1-benzyl-6-methoxy-quinolin-1-ium-4-yl)-(5-vinylquinuclidin-2-yl)methanol CAS Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-methoxy-1-(phenylmethyl)-4-quinolin-1-iumyl]methanol IUPAC Name: (1-benzyl-6-methoxyquinolin-1-ium-4-yl)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol Traditional Name: (1-benzyl-6-methoxy-quinolin-1-ium-4-yl)-(5-vinylquinuclidin-2-yl)methanol Formula: C27H31N2O2+ MolecularWeight: 415.54724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C[N+](=C2C=C1)CC3=CC=CC=C3)C(C4CC5CCN4CC5C=C)O

Isomeric SMILES

COC1=CC2=C(C=C[N+](=C2C=C1)CC3=CC=CC=C3)C(C4CC5CCN4CC5C=C)O

InChI

InChI=1S/C27H31N2O2/c1-3-20-18-29-13-11-21(20)15-26(29)27(30)23-12-14-28(17-19-7-5-4-6-8-19)25-10-9-22(31-2)16-24(23)25/h3-10,12,14,16,20-21,26-27,30H,1,11,13,15,17-18H2,2H3/q+1