ethyl sulfate; [2-methyl-4-(propanoylamino)hexan-2-yl]azanium

Systemtic Name: ethyl sulfate; [2-methyl-4-(propanoylamino)hexan-2-yl]azanium Openeye Name: [1,1-dimethyl-3-(propanoylamino)pentyl]ammonium; ethyl sulfate CAS Name: ethyl sulfate; [2-methyl-4-(1-oxopropylamino)hexan-2-yl]ammonium IUPAC Name: ethyl sulfate; [2-methyl-4-(propanoylamino)hexan-2-yl]azanium Traditional Name: (1,1-dimethyl-3-propionamido-pentyl)ammonium; ethyl sulfate Formula: C12H28N2O5S MolecularWeight: 312.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(C)[NH3+])NC(=O)CC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCC(CC(C)(C)[NH3+])NC(=O)CC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C10H22N2O.C2H6O4S/c1-5-8(7-10(3,4)11)12-9(13)6-2;1-2-6-7(3,4)5/h8H,5-7,11H2,1-4H3,(H,12,13);2H2,1H3,(H,3,4,5)