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

Systemtic Name: (5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methanol hydroxide Openeye Name: (1-methyl-5-vinyl-quinuclidin-1-ium-2-yl)-(4-quinolyl)methanol hydroxide CAS Name: (5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)-(4-quinolinyl)methanol hydroxide IUPAC Name: (5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol hydroxide Traditional Name: (1-methyl-5-vinyl-quinuclidin-1-ium-2-yl)-(4-quinolyl)methanol hydroxide Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1C(C3=CC=NC4=CC=CC=C34)O)C(C2)C=C.[OH-]

Isomeric SMILES

C[N+]12CCC(CC1C(C3=CC=NC4=CC=CC=C34)O)C(C2)C=C.[OH-]

InChI

InChI=1S/C20H25N2O.H2O/c1-3-14-13-22(2)11-9-15(14)12-19(22)20(23)17-8-10-21-18-7-5-4-6-16(17)18;/h3-8,10,14-15,19-20,23H,1,9,11-13H2,2H3;1H2/q+1;/p-1