trimethyl-[3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propyl]azanium bromide hexafluorophosphate

Systemtic Name: trimethyl-[3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propyl]azanium bromide hexafluorophosphate Openeye Name: trimethyl-[3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propyl]ammonium bromide hexafluorophosphate CAS Name: trimethyl-[3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propyl]ammonium bromide hexafluorophosphate IUPAC Name: trimethyl-[3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propyl]azanium bromide hexafluorophosphate Traditional Name: trimethyl-[3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propyl]ammonium bromide hexafluorophosphate Formula: C20H26BrF6N2PS MolecularWeight: 551.36702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)C3=CC=CC=C3)CCC[N+](C)(C)C.F[P-](F)(F)(F)(F)F.[Br-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)C3=CC=CC=C3)CCC[N+](C)(C)C.F[P-](F)(F)(F)(F)F.[Br-]

InChI

InChI=1S/C20H26N2S.BrH.F6P/c1-16-21(13-8-14-22(2,3)4)19-15-18(11-12-20(19)23-16)17-9-6-5-7-10-17;;1-7(2,3,4,5)6/h5-7,9-12,15H,8,13-14H2,1-4H3;1H;/q+2;;-1/p-1