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

Systemtic Name: 3-(3-methylimidazol-3-ium-1-yl)propyl N,N-dioctylcarbamodithioate hexafluorophosphate Openeye Name: 3-(3-methylimidazol-3-ium-1-yl)propyl N,N-dioctylcarbamodithioate hexafluorophosphate CAS Name: N,N-dioctylcarbamodithioic acid 3-(3-methyl-1-imidazol-3-iumyl)propyl ester hexafluorophosphate IUPAC Name: 3-(3-methylimidazol-3-ium-1-yl)propyl N,N-dioctylcarbamodithioate hexafluorophosphate Traditional Name: N,N-dioctylcarbamodithioic acid 3-(3-methylimidazol-3-ium-1-yl)propyl ester hexafluorophosphate Formula: C24H46F6N3PS2 MolecularWeight: 585.73632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(=S)SCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C(=S)SCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C24H46N3S2.F6P/c1-4-6-8-10-12-14-18-27(19-15-13-11-9-7-5-2)24(28)29-22-16-17-26-21-20-25(3)23-26;1-7(2,3,4,5)6/h20-21,23H,4-19,22H2,1-3H3;/q+1;-1