(2-bromophenyl)methyl-ethyl-dimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: (2-bromophenyl)methyl-ethyl-dimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: (2-bromophenyl)methyl-ethyl-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: (2-bromophenyl)methyl-ethyl-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: (2-bromophenyl)methyl-ethyl-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: (2-bromobenzyl)-ethyl-dimethyl-ammonium tosylate Formula: C18H24BrNO3S MolecularWeight: 414.35706

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)CC1=CC=CC=C1Br.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+](C)(C)CC1=CC=CC=C1Br.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H17BrN.C7H8O3S/c1-4-13(2,3)9-10-7-5-6-8-11(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,4,9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1