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

Systemtic Name: N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]methanamide; methyl sulfate Openeye Name: N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]formamide; methyl sulfate CAS Name: N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]formamide; methyl sulfate IUPAC Name: N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]formamide; methyl sulfate Traditional Name: N-[2-(2-heptadecyl-1-methyl-2-imidazolin-1-ium-1-yl)ethyl]formamide; methyl sulfate Formula: C25H51N3O5S MolecularWeight: 505.75454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCNC=O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCNC=O.COS(=O)(=O)[O-]

InChI

InChI=1S/C24H47N3O.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-26-20-22-27(24,2)21-19-25-23-28;1-5-6(2,3)4/h23H,3-22H2,1-2H3;1H3,(H,2,3,4)