(4-chloranyl-3-nitro-phenyl)-trimethyl-azanium; methyl sulfate

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-trimethyl-azanium; methyl sulfate Openeye Name: (4-chloro-3-nitro-phenyl)-trimethyl-ammonium; methyl sulfate CAS Name: (4-chloro-3-nitrophenyl)-trimethylammonium; methyl sulfate IUPAC Name: (4-chloro-3-nitrophenyl)-trimethylazanium; methyl sulfate Traditional Name: (4-chloro-3-nitro-phenyl)-trimethyl-ammonium; methyl sulfate Formula: C10H15ClN2O6S MolecularWeight: 326.7539

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC(=C(C=C1)Cl)[N+](=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1=CC(=C(C=C1)Cl)[N+](=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C9H12ClN2O2.CH4O4S/c1-12(2,3)7-4-5-8(10)9(6-7)11(13)14;1-5-6(2,3)4/h4-6H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1