(3S)-3-(2,4-dimethylphenyl)-1-azoniabicyclo[2.2.2]octan-3-ol

Systemtic Name: (3S)-3-(2,4-dimethylphenyl)-1-azoniabicyclo[2.2.2]octan-3-ol Openeye Name: (3S)-3-(2,4-dimethylphenyl)quinuclidin-1-ium-3-ol CAS Name: (3S)-3-(2,4-dimethylphenyl)-1-azoniabicyclo[2.2.2]octan-3-ol IUPAC Name: (3S)-3-(2,4-dimethylphenyl)-1-azoniabicyclo[2.2.2]octan-3-ol Traditional Name: (3S)-3-(2,4-dimethylphenyl)quinuclidin-1-ium-3-ol Formula: C15H22NO+ MolecularWeight: 232.34128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2(C[NH+]3CCC2CC3)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@@]2(C[NH+]3CCC2CC3)O)C

InChI

InChI=1S/C15H21NO/c1-11-3-4-14(12(2)9-11)15(17)10-16-7-5-13(15)6-8-16/h3-4,9,13,17H,5-8,10H2,1-2H3/p+1/t15-/m0/s1