hydrogen sulfate; [2-methyl-3-[(2-methylprop-2-enoylamino)-oxidanyl-methyl]-3-oxidanyl-hexan-2-yl]azanium

Systemtic Name: hydrogen sulfate; [2-methyl-3-[(2-methylprop-2-enoylamino)-oxidanyl-methyl]-3-oxidanyl-hexan-2-yl]azanium Openeye Name: hydrogen sulfate; [2-hydroxy-2-[hydroxy-(2-methylprop-2-enoylamino)methyl]-1,1-dimethyl-pentyl]ammonium CAS Name: hydrogen sulfate; [3-hydroxy-3-[hydroxy-[(2-methyl-1-oxoprop-2-enyl)amino]methyl]-2-methylhexan-2-yl]ammonium IUPAC Name: hydrogen sulfate; [3-hydroxy-3-[hydroxy-(2-methylprop-2-enoylamino)methyl]-2-methylhexan-2-yl]azanium Traditional Name: [2-hydroxy-2-[hydroxy(methacrylamido)methyl]-1,1-dimethyl-pentyl]ammonium bisulfate Formula: C12H26N2O7S MolecularWeight: 342.40904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(NC(=O)C(=C)C)O)(C(C)(C)[NH3+])O.OS(=O)(=O)[O-]

Isomeric SMILES

CCCC(C(NC(=O)C(=C)C)O)(C(C)(C)[NH3+])O.OS(=O)(=O)[O-]

InChI

InChI=1S/C12H24N2O3.H2O4S/c1-6-7-12(17,11(4,5)13)10(16)14-9(15)8(2)3;1-5(2,3)4/h10,16-17H,2,6-7,13H2,1,3-5H3,(H,14,15);(H2,1,2,3,4)