4-(4-chlorophenyl)-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 4-(4-chlorophenyl)-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 4-(4-chlorophenyl)-3-methyl-N-[4-(1-piperidylsulfonyl)phenyl]thiazol-3-ium-2-amine bromide CAS Name: 4-(4-chlorophenyl)-3-methyl-N-[4-(1-piperidinylsulfonyl)phenyl]-2-thiazol-3-iumamine bromide IUPAC Name: 4-(4-chlorophenyl)-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [4-(4-chlorophenyl)-3-methyl-thiazol-3-ium-2-yl]-(4-piperidinosulfonylphenyl)amine bromide Formula: C21H23BrClN3O2S2 MolecularWeight: 528.91322

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC=C1C2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4.[Br-]

Isomeric SMILES

C[N+]1=C(SC=C1C2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4.[Br-]

InChI

InChI=1S/C21H22ClN3O2S2.BrH/c1-24-20(16-5-7-17(22)8-6-16)15-28-21(24)23-18-9-11-19(12-10-18)29(26,27)25-13-3-2-4-14-25;/h5-12,15H,2-4,13-14H2,1H3;1H