4-methylbenzenesulfonate; quinolin-1-ium-1,2-diamine

Systemtic Name: 4-methylbenzenesulfonate; quinolin-1-ium-1,2-diamine Openeye Name: 4-methylbenzenesulfonate; quinolin-1-ium-1,2-diamine CAS Name: 4-methylbenzenesulfonate; quinolin-1-ium-1,2-diamine IUPAC Name: 4-methylbenzenesulfonate; quinolin-1-ium-1,2-diamine Traditional Name: (1-aminoquinolin-1-ium-2-yl)amine tosylate Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=[N+]2N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=[N+]2N)N

InChI

InChI=1S/C9H9N3.C7H8O3S/c10-9-6-5-7-3-1-2-4-8(7)12(9)11;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,10H,11H2;2-5H,1H3,(H,8,9,10)