N2,N2-dimethylquinoline-2,4-diamine; 2-oxidanyl-5-sulfo-benzoic acid

Systemtic Name: N2,N2-dimethylquinoline-2,4-diamine; 2-oxidanyl-5-sulfo-benzoic acid Openeye Name: N2,N2-dimethylquinoline-2,4-diamine; 2-hydroxy-5-sulfo-benzoic acid CAS Name: N2,N2-dimethylquinoline-2,4-diamine; 2-hydroxy-5-sulfobenzoic acid IUPAC Name: 2-N,2-N-dimethylquinoline-2,4-diamine; 2-hydroxy-5-sulfobenzoic acid Traditional Name: (4-amino-2-quinolyl)-dimethyl-amine; 2-hydroxy-5-sulfo-benzoic acid Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2=CC=CC=C2C(=C1)N.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

CN(C)C1=NC2=CC=CC=C2C(=C1)N.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C11H13N3.C7H6O6S/c1-14(2)11-7-9(12)8-5-3-4-6-10(8)13-11;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h3-7H,1-2H3,(H2,12,13);1-3,8H,(H,9,10)(H,11,12,13)