N-tert-butyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: N-tert-butyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-allyl-N-tert-butyl-4-phenyl-thiazol-3-ium-2-amine bromide CAS Name: N-tert-butyl-4-phenyl-3-prop-2-enyl-2-thiazol-3-iumamine bromide IUPAC Name: N-tert-butyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: (3-allyl-4-phenyl-thiazol-3-ium-2-yl)-tert-butyl-amine bromide Formula: C16H21BrN2S MolecularWeight: 353.32034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=[N+](C(=CS1)C2=CC=CC=C2)CC=C.[Br-]

Isomeric SMILES

CC(C)(C)NC1=[N+](C(=CS1)C2=CC=CC=C2)CC=C.[Br-]

InChI

InChI=1S/C16H20N2S.BrH/c1-5-11-18-14(13-9-7-6-8-10-13)12-19-15(18)17-16(2,3)4;/h5-10,12H,1,11H2,2-4H3;1H