4-(2,4-dichlorophenyl)-3-hexyl-N-phenyl-1,3-thiazol-3-ium-2-amine chloride

Systemtic Name: 4-(2,4-dichlorophenyl)-3-hexyl-N-phenyl-1,3-thiazol-3-ium-2-amine chloride Openeye Name: 4-(2,4-dichlorophenyl)-3-hexyl-N-phenyl-thiazol-3-ium-2-amine chloride CAS Name: 4-(2,4-dichlorophenyl)-3-hexyl-N-phenyl-2-thiazol-3-iumamine chloride IUPAC Name: 4-(2,4-dichlorophenyl)-3-hexyl-N-phenyl-1,3-thiazol-3-ium-2-amine chloride Traditional Name: [4-(2,4-dichlorophenyl)-3-hexyl-thiazol-3-ium-2-yl]-phenyl-amine chloride Formula: C21H23Cl3N2S MolecularWeight: 441.84472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N2S.ClH/c1-2-3-4-8-13-25-20(18-12-11-16(22)14-19(18)23)15-26-21(25)24-17-9-6-5-7-10-17;/h5-7,9-12,14-15H,2-4,8,13H2,1H3;1H