N-(4-chlorophenyl)-4-(4-methylphenyl)-3-(phenylmethyl)-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: N-(4-chlorophenyl)-4-(4-methylphenyl)-3-(phenylmethyl)-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-benzyl-N-(4-chlorophenyl)-4-(p-tolyl)thiazol-3-ium-2-amine bromide CAS Name: N-(4-chlorophenyl)-4-(4-methylphenyl)-3-(phenylmethyl)-2-thiazol-3-iumamine bromide IUPAC Name: 3-benzyl-N-(4-chlorophenyl)-4-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-benzyl-4-(p-tolyl)thiazol-3-ium-2-yl]-(4-chlorophenyl)amine bromide Formula: C23H20BrClN2S MolecularWeight: 471.8403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=CC=C3)NC4=CC=C(C=C4)Cl.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=CC=C3)NC4=CC=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C23H19ClN2S.BrH/c1-17-7-9-19(10-8-17)22-16-27-23(25-21-13-11-20(24)12-14-21)26(22)15-18-5-3-2-4-6-18;/h2-14,16H,15H2,1H3;1H