(2Z,3S)-2-[(3-chloranyl-4,5-dimethoxy-phenyl)methylidene]-1-azoniabicyclo[2.2.2]octan-3-ol

Systemtic Name: (2Z,3S)-2-[(3-chloranyl-4,5-dimethoxy-phenyl)methylidene]-1-azoniabicyclo[2.2.2]octan-3-ol Openeye Name: (2Z,3S)-2-[(3-chloro-4,5-dimethoxy-phenyl)methylene]quinuclidin-1-ium-3-ol CAS Name: (2Z,3S)-2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-1-azoniabicyclo[2.2.2]octan-3-ol IUPAC Name: (2Z,3S)-2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-1-azoniabicyclo[2.2.2]octan-3-ol Traditional Name: (2Z,3S)-2-(3-chloro-4,5-dimethoxy-benzylidene)quinuclidin-1-ium-3-ol Formula: C16H21ClNO3+ MolecularWeight: 310.79584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(C3CC[NH+]2CC3)O)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\2/[C@H](C3CC[NH+]2CC3)O)Cl)OC

InChI

InChI=1S/C16H20ClNO3/c1-20-14-9-10(7-12(17)16(14)21-2)8-13-15(19)11-3-5-18(13)6-4-11/h7-9,11,15,19H,3-6H2,1-2H3/p+1/b13-8-/t15-/m0/s1