(S)-[(2R,4S,5R)-5-ethenyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol

Systemtic Name: (S)-[(2R,4S,5R)-5-ethenyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol Openeye Name: (S)-[(2R,4S,5R)-1-[(2,3,4,5,6-pentamethylphenyl)methyl]-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol CAS Name: (S)-[(2R,4S,5R)-5-ethenyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol IUPAC Name: (S)-[(2R,4S,5R)-5-ethenyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol Traditional Name: (S)-[(2R,4S,5R)-1-(2,3,4,5,6-pentamethylbenzyl)-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol Formula: C31H39N2O+ MolecularWeight: 455.65416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C[N+]23CCC(CC2C(C4=CC=NC5=CC=CC=C45)O)C(C3)C=C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C[N+]23CC[C@@H](C[C@@H]2[C@H](C4=CC=NC5=CC=CC=C45)O)[C@H](C3)C=C)C)C

InChI

InChI=1S/C31H39N2O/c1-7-24-17-33(18-28-22(5)20(3)19(2)21(4)23(28)6)15-13-25(24)16-30(33)31(34)27-12-14-32-29-11-9-8-10-26(27)29/h7-12,14,24-25,30-31,34H,1,13,15-18H2,2-6H3/q+1/t24-,25-,30+,31-,33?/m0/s1