4-(4-methoxyphenyl)-N-phenyl-3-(phenylmethyl)-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 4-(4-methoxyphenyl)-N-phenyl-3-(phenylmethyl)-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-benzyl-4-(4-methoxyphenyl)-N-phenyl-thiazol-3-ium-2-amine bromide CAS Name: 4-(4-methoxyphenyl)-N-phenyl-3-(phenylmethyl)-2-thiazol-3-iumamine bromide IUPAC Name: 3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-benzyl-4-(4-methoxyphenyl)thiazol-3-ium-2-yl]-phenyl-amine bromide Formula: C23H21BrN2OS MolecularWeight: 453.39464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=CC=C3)NC4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=CC=C3)NC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H20N2OS.BrH/c1-26-21-14-12-19(13-15-21)22-17-27-23(24-20-10-6-3-7-11-20)25(22)16-18-8-4-2-5-9-18;/h2-15,17H,16H2,1H3;1H