2-[2-[(4-chlorophenyl)-phenyl-methyl]-1,3-thiazol-3-ium-4-yl]ethylazanium dibromide

Systemtic Name: 2-[2-[(4-chlorophenyl)-phenyl-methyl]-1,3-thiazol-3-ium-4-yl]ethylazanium dibromide Openeye Name: 2-[2-[(4-chlorophenyl)-phenyl-methyl]thiazol-3-ium-4-yl]ethylammonium dibromide CAS Name: 2-[2-[(4-chlorophenyl)-phenylmethyl]-4-thiazol-3-iumyl]ethylammonium dibromide IUPAC Name: 2-[2-[(4-chlorophenyl)-phenylmethyl]-1,3-thiazol-3-ium-4-yl]ethylazanium dibromide Traditional Name: 2-[2-[(4-chlorophenyl)-phenyl-methyl]thiazol-3-ium-4-yl]ethylammonium dibromide Formula: C18H19Br2ClN2S MolecularWeight: 490.68286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C3=[NH+]C(=CS3)CC[NH3+].[Br-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C3=[NH+]C(=CS3)CC[NH3+].[Br-].[Br-]

InChI

InChI=1S/C18H17ClN2S.2BrH/c19-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)18-21-16(10-11-20)12-22-18;;/h1-9,12,17H,10-11,20H2;2*1H