(4-dodecanoylimino-2-methyl-hexan-2-yl)azanium; ethyl sulfate

Systemtic Name: (4-dodecanoylimino-2-methyl-hexan-2-yl)azanium; ethyl sulfate Openeye Name: (3-dodecanoylimino-1,1-dimethyl-pentyl)ammonium; ethyl sulfate CAS Name: ethyl sulfate; [2-methyl-4-(1-oxododecylimino)hexan-2-yl]ammonium IUPAC Name: (4-dodecanoylimino-2-methylhexan-2-yl)azanium; ethyl sulfate Traditional Name: ethyl sulfate; (3-lauroylimino-1,1-dimethyl-pentyl)ammonium Formula: C21H44N2O5S MolecularWeight: 436.64946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N=C(CC)CC(C)(C)[NH3+].CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)N=C(CC)CC(C)(C)[NH3+].CCOS(=O)(=O)[O-]

InChI

InChI=1S/C19H38N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-18(22)21-17(6-2)16-19(3,4)20;1-2-6-7(3,4)5/h5-16,20H2,1-4H3;2H2,1H3,(H,3,4,5)