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

Systemtic Name: 3-(5-chloranyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl-trimethyl-azanium bromide hexafluorophosphate Openeye Name: 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl-trimethyl-ammonium bromide hexafluorophosphate CAS Name: 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl-trimethylammonium bromide hexafluorophosphate IUPAC Name: 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl-trimethylazanium bromide hexafluorophosphate Traditional Name: 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl-trimethyl-ammonium bromide hexafluorophosphate Formula: C14H21BrClF6N2PS MolecularWeight: 509.71612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN2S.BrH.F6P/c1-11-16(8-5-9-17(2,3)4)13-10-12(15)6-7-14(13)18-11;;1-7(2,3,4,5)6/h6-7,10H,5,8-9H2,1-4H3;1H;/q+2;;-1/p-1