3-ethyl-2-propyl-quinolin-4-amine; 2-oxidanyl-5-sulfo-benzoic acid

Systemtic Name: 3-ethyl-2-propyl-quinolin-4-amine; 2-oxidanyl-5-sulfo-benzoic acid Openeye Name: 3-ethyl-2-propyl-quinolin-4-amine; 2-hydroxy-5-sulfo-benzoic acid CAS Name: 3-ethyl-2-propyl-4-quinolinamine; 2-hydroxy-5-sulfobenzoic acid IUPAC Name: 3-ethyl-2-propylquinolin-4-amine; 2-hydroxy-5-sulfobenzoic acid Traditional Name: (3-ethyl-2-propyl-4-quinolyl)amine; 2-hydroxy-5-sulfo-benzoic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)N.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)N.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C14H18N2.C7H6O6S/c1-3-7-12-10(4-2)14(15)11-8-5-6-9-13(11)16-12;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h5-6,8-9H,3-4,7H2,1-2H3,(H2,15,16);1-3,8H,(H,9,10)(H,11,12,13)