(4-bromophenyl)methyl-ethyl-dimethyl-azanium; 4-methylbenzenesulfonic acid

Systemtic Name: (4-bromophenyl)methyl-ethyl-dimethyl-azanium; 4-methylbenzenesulfonic acid Openeye Name: (4-bromophenyl)methyl-ethyl-dimethyl-ammonium; 4-methylbenzenesulfonic acid CAS Name: (4-bromophenyl)methyl-ethyl-dimethylammonium; 4-methylbenzenesulfonic acid IUPAC Name: (4-bromophenyl)methyl-ethyl-dimethylazanium; 4-methylbenzenesulfonic acid Traditional Name: (4-bromobenzyl)-ethyl-dimethyl-ammonium; tosylic acid Formula: C18H25BrNO3S+ MolecularWeight: 415.365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17BrN.C7H8O3S/c1-4-13(2,3)9-10-5-7-11(12)8-6-10;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;