3-(3-methylimidazol-3-ium-1-yl)propyl N,N-diphenylcarbamodithioate hexafluorophosphate

Systemtic Name: 3-(3-methylimidazol-3-ium-1-yl)propyl N,N-diphenylcarbamodithioate hexafluorophosphate Openeye Name: 3-(3-methylimidazol-3-ium-1-yl)propyl N,N-diphenylcarbamodithioate hexafluorophosphate CAS Name: N,N-diphenylcarbamodithioic acid 3-(3-methyl-1-imidazol-3-iumyl)propyl ester hexafluorophosphate IUPAC Name: 3-(3-methylimidazol-3-ium-1-yl)propyl N,N-diphenylcarbamodithioate hexafluorophosphate Traditional Name: N,N-diphenylcarbamodithioic acid 3-(3-methylimidazol-3-ium-1-yl)propyl ester hexafluorophosphate Formula: C20H22F6N3PS2 MolecularWeight: 513.50296

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCSC(=S)N(C2=CC=CC=C2)C3=CC=CC=C3.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C[N+]1=CN(C=C1)CCCSC(=S)N(C2=CC=CC=C2)C3=CC=CC=C3.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C20H22N3S2.F6P/c1-21-14-15-22(17-21)13-8-16-25-20(24)23(18-9-4-2-5-10-18)19-11-6-3-7-12-19;1-7(2,3,4,5)6/h2-7,9-12,14-15,17H,8,13,16H2,1H3;/q+1;-1