4-(dimethoxymethyl)-1-methyl-quinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-(dimethoxymethyl)-1-methyl-quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-(dimethoxymethyl)-1-methyl-quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-(dimethoxymethyl)-1-methylquinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-(dimethoxymethyl)-1-methylquinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4-(dimethoxymethyl)-1-methyl-quinolin-1-ium tosylate Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C2=CC=CC=C21)C(OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C2=CC=CC=C21)C(OC)OC

InChI

InChI=1S/C13H16NO2.C7H8O3S/c1-14-9-8-11(13(15-2)16-3)10-6-4-5-7-12(10)14;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,13H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1