2-methoxyaniline; methyl-(4-sulfobutan-2-yl)-sulfonyl-azanium

Systemtic Name: 2-methoxyaniline; methyl-(4-sulfobutan-2-yl)-sulfonyl-azanium Openeye Name: 2-methoxyaniline; methyl-(1-methyl-3-sulfo-propyl)-sulfonyl-ammonium CAS Name: 2-methoxyaniline; methyl-(4-sulfobutan-2-yl)-sulfonylammonium IUPAC Name: 2-methoxyaniline; methyl-(4-sulfobutan-2-yl)-sulfonylazanium Traditional Name: methyl-(1-methyl-3-sulfo-propyl)-sulfonyl-ammonium; o-anisidine Formula: C12H21N2O6S2+ MolecularWeight: 353.43494

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS(=O)(=O)O)[N+](=S(=O)=O)C.COC1=CC=CC=C1N

Isomeric SMILES

CC(CCS(=O)(=O)O)[N+](=S(=O)=O)C.COC1=CC=CC=C1N

InChI

InChI=1S/C7H9NO.C5H11NO5S2/c1-9-7-5-3-2-4-6(7)8;1-5(6(2)12(7)8)3-4-13(9,10)11/h2-5H,8H2,1H3;5H,3-4H2,1-2H3/p+1