2-methylaniline; methyl-sulfonyl-(3-sulfopropyl)azanium

Systemtic Name: 2-methylaniline; methyl-sulfonyl-(3-sulfopropyl)azanium Openeye Name: 2-methylaniline; methyl-sulfonyl-(3-sulfopropyl)ammonium CAS Name: 2-methylaniline; methyl-sulfonyl-(3-sulfopropyl)ammonium IUPAC Name: 2-methylaniline; methyl-sulfonyl-(3-sulfopropyl)azanium Traditional Name: methyl-sulfonyl-(3-sulfopropyl)ammonium; o-toluidine Formula: C11H19N2O5S2+ MolecularWeight: 323.40896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N.C[N+](=S(=O)=O)CCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1N.C[N+](=S(=O)=O)CCCS(=O)(=O)O

InChI

InChI=1S/C7H9N.C4H9NO5S2/c1-6-4-2-3-5-7(6)8;1-5(11(6)7)3-2-4-12(8,9)10/h2-5H,8H2,1H3;2-4H2,1H3/p+1