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

Systemtic Name: (5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methanol sulfate Openeye Name: 4-quinolyl-(5-vinylquinuclidin-1-ium-2-yl)methanol sulfate CAS Name: (5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-(4-quinolinyl)methanol sulfate IUPAC Name: (5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol sulfate Traditional Name: 4-quinolyl-(5-vinylquinuclidin-1-ium-2-yl)methanol sulfate Formula: C38H46N4O6S MolecularWeight: 686.86004

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1C[NH+]2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.C=CC1C[NH+]2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C=CC1C[NH+]2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.C=CC1C[NH+]2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C19H22N2O.H2O4S/c2*1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4/h2*2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)