2-azanyl-5-(4-azanyl-3-methyl-phenyl)-3-methyl-benzenesulfonate; trimethylazanium

Systemtic Name: 2-azanyl-5-(4-azanyl-3-methyl-phenyl)-3-methyl-benzenesulfonate; trimethylazanium Openeye Name: 2-amino-5-(4-amino-3-methyl-phenyl)-3-methyl-benzenesulfonate; trimethylammonium CAS Name: 2-amino-5-(4-amino-3-methylphenyl)-3-methylbenzenesulfonate; trimethylammonium IUPAC Name: 2-amino-5-(4-amino-3-methylphenyl)-3-methylbenzenesulfonate; trimethylazanium Traditional Name: 2-amino-5-(4-amino-3-methyl-phenyl)-3-methyl-besylate; trimethylammonium Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C(=C2)S(=O)(=O)[O-])N)C)N.C[NH+](C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C(=C2)S(=O)(=O)[O-])N)C)N.C[NH+](C)C

InChI

InChI=1S/C14H16N2O3S.C3H9N/c1-8-5-10(3-4-12(8)15)11-6-9(2)14(16)13(7-11)20(17,18)19;1-4(2)3/h3-7H,15-16H2,1-2H3,(H,17,18,19);1-3H3