3-(3-bromophenyl)-N,N,1-trimethyl-pyridin-1-ium-4-amine; 4-methylbenzenesulfonate

Systemtic Name: 3-(3-bromophenyl)-N,N,1-trimethyl-pyridin-1-ium-4-amine; 4-methylbenzenesulfonate Openeye Name: 3-(3-bromophenyl)-N,N,1-trimethyl-pyridin-1-ium-4-amine; 4-methylbenzenesulfonate CAS Name: 3-(3-bromophenyl)-N,N,1-trimethyl-4-pyridin-1-iumamine; 4-methylbenzenesulfonate IUPAC Name: 3-(3-bromophenyl)-N,N,1-trimethylpyridin-1-ium-4-amine; 4-methylbenzenesulfonate Traditional Name: [3-(3-bromophenyl)-1-methyl-pyridin-1-ium-4-yl]-dimethyl-amine tosylate Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN2.C7H8O3S/c1-16(2)14-7-8-17(3)10-13(14)11-5-4-6-12(15)9-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-10H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1