methyl sulfate; trimethyl-[2-[methyl-(4-nitrophenyl)amino]ethyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[2-[methyl-(4-nitrophenyl)amino]ethyl]azanium Openeye Name: methyl sulfate; trimethyl-[2-(N-methyl-4-nitro-anilino)ethyl]ammonium CAS Name: methyl sulfate; trimethyl-[2-(N-methyl-4-nitroanilino)ethyl]ammonium IUPAC Name: methyl sulfate; trimethyl-[2-(N-methyl-4-nitroanilino)ethyl]azanium Traditional Name: methyl sulfate; trimethyl-[2-(N-methyl-4-nitro-anilino)ethyl]ammonium Formula: C13H23N3O6S MolecularWeight: 349.40322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N3O2.CH4O4S/c1-13(9-10-15(2,3)4)11-5-7-12(8-6-11)14(16)17;1-5-6(2,3)4/h5-8H,9-10H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1