2-ethyl-3-heptadecan-2-yl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate; octadecanamide

Systemtic Name: 2-ethyl-3-heptadecan-2-yl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate; octadecanamide Openeye Name: 2-ethyl-3-(1-methylhexadecyl)-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate; octadecanamide CAS Name: 2-ethyl-3-heptadecan-2-yl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate; octadecanamide IUPAC Name: 2-ethyl-3-heptadecan-2-yl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate; octadecanamide Traditional Name: 2-ethyl-1-(1-methylhexadecyl)-2-imidazolin-1-ium; methyl sulfate; stearamide Formula: C41H85N3O5S MolecularWeight: 732.1957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N.CCCCCCCCCCCCCCCC(C)[N+]1=C(NCC1)CC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N.CCCCCCCCCCCCCCCC(C)[N+]1=C(NCC1)CC.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H44N2.C18H37NO.CH4O4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21(3)24-20-19-23-22(24)5-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-5-6(2,3)4/h21H,4-20H2,1-3H3;2-17H2,1H3,(H2,19,20);1H3,(H,2,3,4)