3-(3-bromophenyl)-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-(3-bromophenyl)-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 3-(3-bromophenyl)-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 3-(3-bromophenyl)-1-methylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 3-(3-bromophenyl)-1-methylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 3-(3-bromophenyl)-1-methyl-pyridin-1-ium tosylate Formula: C19H18BrNO3S MolecularWeight: 420.32012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C2=CC(=CC=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H11BrN.C7H8O3S/c1-14-7-3-5-11(9-14)10-4-2-6-12(13)8-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-9H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1