3-hexyl-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 3-hexyl-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-hexyl-4-(4-nitrophenyl)-N-phenyl-thiazol-3-ium-2-amine bromide CAS Name: 3-hexyl-4-(4-nitrophenyl)-N-phenyl-2-thiazol-3-iumamine bromide IUPAC Name: 3-hexyl-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-hexyl-4-(4-nitrophenyl)thiazol-3-ium-2-yl]-phenyl-amine bromide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S.BrH/c1-2-3-4-8-15-23-20(17-11-13-19(14-12-17)24(25)26)16-27-21(23)22-18-9-6-5-7-10-18;/h5-7,9-14,16H,2-4,8,15H2,1H3;1H