3-(furan-2-ylmethyl)-N-(2-methylphenyl)-4-phenyl-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 3-(furan-2-ylmethyl)-N-(2-methylphenyl)-4-phenyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-(2-furylmethyl)-N-(o-tolyl)-4-phenyl-thiazol-3-ium-2-amine bromide CAS Name: 3-(2-furanylmethyl)-N-(2-methylphenyl)-4-phenyl-2-thiazol-3-iumamine bromide IUPAC Name: 3-(furan-2-ylmethyl)-N-(2-methylphenyl)-4-phenyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-(2-furfuryl)-4-phenyl-thiazol-3-ium-2-yl]-(o-tolyl)amine bromide Formula: C21H19BrN2OS MolecularWeight: 427.35736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=[N+](C(=CS2)C3=CC=CC=C3)CC4=CC=CO4.[Br-]

Isomeric SMILES

CC1=CC=CC=C1NC2=[N+](C(=CS2)C3=CC=CC=C3)CC4=CC=CO4.[Br-]

InChI

InChI=1S/C21H18N2OS.BrH/c1-16-8-5-6-12-19(16)22-21-23(14-18-11-7-13-24-18)20(15-25-21)17-9-3-2-4-10-17;/h2-13,15H,14H2,1H3;1H