3-(1,3-benzothiazol-2-yl)-1-azoniabicyclo[2.2.2]octan-3-ol

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-azoniabicyclo[2.2.2]octan-3-ol Openeye Name: 3-(1,3-benzothiazol-2-yl)quinuclidin-1-ium-3-ol CAS Name: 3-(1,3-benzothiazol-2-yl)-1-azoniabicyclo[2.2.2]octan-3-ol IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-azoniabicyclo[2.2.2]octan-3-ol Traditional Name: 3-(1,3-benzothiazol-2-yl)quinuclidin-1-ium-3-ol Formula: C14H17N2OS+ MolecularWeight: 261.36258

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)(C3=NC4=CC=CC=C4S3)O

Isomeric SMILES

C1C[NH+]2CCC1C(C2)(C3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C14H16N2OS/c17-14(9-16-7-5-10(14)6-8-16)13-15-11-3-1-2-4-12(11)18-13/h1-4,10,17H,5-9H2/p+1