[2-methyl-2-[4-[[(1-oxidanidylpyridin-1-ium-3-yl)sulfonylamino]methyl]phenyl]propyl] hydrogen sulfate

Systemtic Name: [2-methyl-2-[4-[[(1-oxidanidylpyridin-1-ium-3-yl)sulfonylamino]methyl]phenyl]propyl] hydrogen sulfate Openeye Name: [2-methyl-2-[4-[[(1-oxidopyridin-1-ium-3-yl)sulfonylamino]methyl]phenyl]propyl] hydrogen sulfate CAS Name: sulfuric acid [2-methyl-2-[4-[[(1-oxido-3-pyridin-1-iumyl)sulfonylamino]methyl]phenyl]propyl] ester IUPAC Name: [2-methyl-2-[4-[[(1-oxidopyridin-1-ium-3-yl)sulfonylamino]methyl]phenyl]propyl] hydrogen sulfate Traditional Name: sulfuric acid [2-methyl-2-[4-[[(1-oxidopyridin-1-ium-3-yl)sulfonylamino]methyl]phenyl]propyl] ester Formula: C16H20N2O7S2 MolecularWeight: 416.4692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COS(=O)(=O)O)C1=CC=C(C=C1)CNS(=O)(=O)C2=C[N+](=CC=C2)[O-]

Isomeric SMILES

CC(C)(COS(=O)(=O)O)C1=CC=C(C=C1)CNS(=O)(=O)C2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C16H20N2O7S2/c1-16(2,12-25-27(22,23)24)14-7-5-13(6-8-14)10-17-26(20,21)15-4-3-9-18(19)11-15/h3-9,11,17H,10,12H2,1-2H3,(H,22,23,24)