ethyl-[(3-methoxyphenyl)methyl]-dimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: ethyl-[(3-methoxyphenyl)methyl]-dimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: ethyl-[(3-methoxyphenyl)methyl]-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: ethyl-[(3-methoxyphenyl)methyl]-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: ethyl-[(3-methoxyphenyl)methyl]-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: ethyl-m-anisyl-dimethyl-ammonium tosylate Formula: C19H27NO4S MolecularWeight: 365.48698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20NO.C7H8O3S/c1-5-13(2,3)10-11-7-6-8-12(9-11)14-4;1-6-2-4-7(5-3-6)11(8,9)10/h6-9H,5,10H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1