N-[2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]tetradecanamide; methyl sulfate

Systemtic Name: N-[2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]tetradecanamide; methyl sulfate Openeye Name: N-[2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]tetradecanamide; methyl sulfate CAS Name: N-[2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]tetradecanamide; methyl sulfate IUPAC Name: N-[2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]tetradecanamide; methyl sulfate Traditional Name: N-[2-(2-lauryl-1-methyl-2-imidazolin-1-ium-1-yl)ethyl]myristamide; methyl sulfate Formula: C33H67N3O5S MolecularWeight: 617.96718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NCC[N+]1(CCN=C1CCCCCCCCCCCC)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NCC[N+]1(CCN=C1CCCCCCCCCCCC)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C32H63N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-32(36)34-28-30-35(3)29-27-33-31(35)25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-30H2,1-3H3;1H3,(H,2,3,4)