ethyl-(4-sulfobutan-2-yl)-sulfonyl-azanium; 2-methylaniline

Systemtic Name: ethyl-(4-sulfobutan-2-yl)-sulfonyl-azanium; 2-methylaniline Openeye Name: ethyl-(1-methyl-3-sulfo-propyl)-sulfonyl-ammonium; 2-methylaniline CAS Name: ethyl-(4-sulfobutan-2-yl)-sulfonylammonium; 2-methylaniline IUPAC Name: ethyl-(4-sulfobutan-2-yl)-sulfonylazanium; 2-methylaniline Traditional Name: ethyl-(1-methyl-3-sulfo-propyl)-sulfonyl-ammonium; o-toluidine Formula: C13H23N2O5S2+ MolecularWeight: 351.46212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9N.C6H13NO5S2/c1-6-4-2-3-5-7(6)8;1-3-7(13(8)9)6(2)4-5-14(10,11)12/h2-5H,8H2,1H3;6H,3-5H2,1-2H3/p+1