(1-azanylpyridin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate

Systemtic Name: (1-azanylpyridin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate Openeye Name: (1-aminopyridin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate CAS Name: (1-amino-2-pyridin-1-iumyl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate IUPAC Name: (1-aminopyridin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate Traditional Name: (1-aminopyridin-1-ium-2-yl)-(4-chlorophenyl)methanone tosylate Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O.C7H8O3S/c13-10-6-4-9(5-7-10)12(16)11-3-1-2-8-15(11)14;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H,(H-,14,16);2-5H,1H3,(H,8,9,10)