N-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-4-naphthalen-2-yl-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-4-naphthalen-2-yl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-4-(2-naphthyl)thiazol-3-ium-2-amine bromide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-4-(2-naphthalenyl)-2-thiazol-3-iumamine bromide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-4-naphthalen-2-yl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[3-methyl-4-(2-naphthyl)thiazol-3-ium-2-yl]amine bromide Formula: C22H15BrF6N2S MolecularWeight: 533.327319

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC=C1C2=CC3=CC=CC=C3C=C2)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[Br-]

Isomeric SMILES

C[N+]1=C(SC=C1C2=CC3=CC=CC=C3C=C2)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[Br-]

InChI

InChI=1S/C22H14F6N2S.BrH/c1-30-19(15-7-6-13-4-2-3-5-14(13)8-15)12-31-20(30)29-18-10-16(21(23,24)25)9-17(11-18)22(26,27)28;/h2-12H,1H3;1H