3-butyl-4-methyl-N-phenyl-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 3-butyl-4-methyl-N-phenyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-butyl-4-methyl-N-phenyl-thiazol-3-ium-2-amine bromide CAS Name: 3-butyl-4-methyl-N-phenyl-2-thiazol-3-iumamine bromide IUPAC Name: 3-butyl-4-methyl-N-phenyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: (3-butyl-4-methyl-thiazol-3-ium-2-yl)-phenyl-amine bromide Formula: C14H19BrN2S MolecularWeight: 327.28306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(SC=C1C)NC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCC[N+]1=C(SC=C1C)NC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C14H18N2S.BrH/c1-3-4-10-16-12(2)11-17-14(16)15-13-8-6-5-7-9-13;/h5-9,11H,3-4,10H2,1-2H3;1H