2-(3-methoxyphenyl)ethyl-trimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: 2-(3-methoxyphenyl)ethyl-trimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: 2-(3-methoxyphenyl)ethyl-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 2-(3-methoxyphenyl)ethyl-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: 2-(3-methoxyphenyl)ethyl-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: 2-(3-methoxyphenyl)ethyl-trimethyl-ammonium tosylate Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCC1=CC(=CC=C1)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCC1=CC(=CC=C1)OC

InChI

InChI=1S/C12H20NO.C7H8O3S/c1-13(2,3)9-8-11-6-5-7-12(10-11)14-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-7,10H,8-9H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1