1-(4-tert-butylphenyl)-2-phenyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-4-ium bromide

Systemtic Name: 1-(4-tert-butylphenyl)-2-phenyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-4-ium bromide Openeye Name: 1-(4-tert-butylphenyl)-2-phenyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-4-ium bromide CAS Name: 1-(4-tert-butylphenyl)-2-phenyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-4-ium bromide IUPAC Name: 1-(4-tert-butylphenyl)-2-phenyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-4-ium bromide Traditional Name: 1-(4-tert-butylphenyl)-2-phenyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-4-ium bromide Formula: C22H25BrN2S MolecularWeight: 429.4163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=C[N+]3=C2SCCC3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=C[N+]3=C2SCCC3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H25N2S.BrH/c1-22(2,3)18-10-12-19(13-11-18)24-20(17-8-5-4-6-9-17)16-23-14-7-15-25-21(23)24;/h4-6,8-13,16H,7,14-15H2,1-3H3;1H/q+1;/p-1