1-azoniabicyclo[2.2.2]octan-3-yl-bis(5-chloranylthiophen-2-yl)methanol chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl-bis(5-chloranylthiophen-2-yl)methanol chloride Openeye Name: bis(5-chloro-2-thienyl)-quinuclidin-1-ium-3-yl-methanol chloride CAS Name: 1-azoniabicyclo[2.2.2]octan-3-yl-bis(5-chloro-2-thiophenyl)methanol chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl-bis(5-chlorothiophen-2-yl)methanol chloride Traditional Name: bis(5-chloro-2-thienyl)-quinuclidin-1-ium-3-yl-methanol chloride Formula: C16H18Cl3NOS2 MolecularWeight: 410.80922

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)C(C3=CC=C(S3)Cl)(C4=CC=C(S4)Cl)O.[Cl-]

Isomeric SMILES

C1C[NH+]2CCC1C(C2)C(C3=CC=C(S3)Cl)(C4=CC=C(S4)Cl)O.[Cl-]

InChI

InChI=1S/C16H17Cl2NOS2.ClH/c17-14-3-1-12(21-14)16(20,13-2-4-15(18)22-13)11-9-19-7-5-10(11)6-8-19;/h1-4,10-11,20H,5-9H2;1H