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

Systemtic Name: 3-(furan-2-ylmethyl)-N,4-diphenyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-(2-furylmethyl)-N,4-diphenyl-thiazol-3-ium-2-amine bromide CAS Name: 3-(2-furanylmethyl)-N,4-diphenyl-2-thiazol-3-iumamine bromide IUPAC Name: 3-(furan-2-ylmethyl)-N,4-diphenyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-(2-furfuryl)-4-phenyl-thiazol-3-ium-2-yl]-phenyl-amine bromide Formula: C20H17BrN2OS MolecularWeight: 413.33078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=CO3)NC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=CO3)NC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C20H16N2OS.BrH/c1-3-8-16(9-4-1)19-15-24-20(21-17-10-5-2-6-11-17)22(19)14-18-12-7-13-23-18;/h1-13,15H,14H2;1H