4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-2-phenyl-1,3-thiazole chloride

Systemtic Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-2-phenyl-1,3-thiazole chloride Openeye Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-2-phenyl-thiazole chloride CAS Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-2-phenylthiazole chloride IUPAC Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-2-phenyl-1,3-thiazole chloride Traditional Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-2-phenyl-thiazole chloride Formula: C16H20ClN3S MolecularWeight: 321.8681

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)CC3=CSC(=N3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1C[N+]2(CCN1CC2)CC3=CSC(=N3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C16H20N3S.ClH/c1-2-4-14(5-3-1)16-17-15(13-20-16)12-19-9-6-18(7-10-19)8-11-19;/h1-5,13H,6-12H2;1H/q+1;/p-1