(2,2-dimethyldodecanoylamino)-propyl-azanium; ethanoic acid; methyl sulfate

Systemtic Name: (2,2-dimethyldodecanoylamino)-propyl-azanium; ethanoic acid; methyl sulfate Openeye Name: acetic acid; (2,2-dimethyldodecanoylamino)-propyl-ammonium; methyl sulfate CAS Name: acetic acid; [(2,2-dimethyl-1-oxododecyl)amino]-propylammonium; methyl sulfate IUPAC Name: acetic acid; (2,2-dimethyldodecanoylamino)-propylazanium; methyl sulfate Traditional Name: acetic acid; (2,2-dimethyldodecanoylamino)-propyl-ammonium; methyl sulfate Formula: C20H44N2O7S MolecularWeight: 456.63756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)(C)C(=O)N[NH2+]CCC.CC(=O)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC(C)(C)C(=O)N[NH2+]CCC.CC(=O)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H36N2O.C2H4O2.CH4O4S/c1-5-7-8-9-10-11-12-13-14-17(3,4)16(20)19-18-15-6-2;1-2(3)4;1-5-6(2,3)4/h18H,5-15H2,1-4H3,(H,19,20);1H3,(H,3,4);1H3,(H,2,3,4)