pyridin-2-ylazanium; 2,4,5-trimethylbenzenesulfonate

Systemtic Name: pyridin-2-ylazanium; 2,4,5-trimethylbenzenesulfonate Openeye Name: 2-pyridylammonium; 2,4,5-trimethylbenzenesulfonate CAS Name: 2-pyridinylammonium; 2,4,5-trimethylbenzenesulfonate IUPAC Name: pyridin-2-ylazanium; 2,4,5-trimethylbenzenesulfonate Traditional Name: 2-pyridylammonium; 2,4,5-trimethylbesylate Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)[O-])C.C1=CC=NC(=C1)[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)[O-])C.C1=CC=NC(=C1)[NH3+]

InChI

InChI=1S/C9H12O3S.C5H6N2/c1-6-4-8(3)9(5-7(6)2)13(10,11)12;6-5-3-1-2-4-7-5/h4-5H,1-3H3,(H,10,11,12);1-4H,(H2,6,7)