methyl sulfate; N-[3-(1-methyl-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]tetradecanamide

Systemtic Name: methyl sulfate; N-[3-(1-methyl-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]tetradecanamide Openeye Name: methyl sulfate; N-[3-(1-methyl-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]tetradecanamide CAS Name: methyl sulfate; N-[3-(1-methyl-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]tetradecanamide IUPAC Name: methyl sulfate; N-[3-(1-methyl-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]tetradecanamide Traditional Name: methyl sulfate; N-[3-(1-methyl-2-tridecyl-2-imidazolin-1-ium-1-yl)propyl]myristamide Formula: C35H71N3O5S MolecularWeight: 646.02034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NCC[N+]1(C)CCCNC(=O)CCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC1=NCC[N+]1(C)CCCNC(=O)CCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C34H67N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-27-33-35-30-32-37(33,3)31-26-29-36-34(38)28-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-32H2,1-3H3;1H3,(H,2,3,4)