2,4-diethoxy-1-methyl-quinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 2,4-diethoxy-1-methyl-quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 2,4-diethoxy-1-methyl-quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 2,4-diethoxy-1-methylquinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 2,4-diethoxy-1-methylquinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 2,4-diethoxy-1-methyl-quinolin-1-ium tosylate Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=[N+](C2=CC=CC=C21)C)OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOC1=CC(=[N+](C2=CC=CC=C21)C)OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H18NO2.C7H8O3S/c1-4-16-13-10-14(17-5-2)15(3)12-9-7-6-8-11(12)13;1-6-2-4-7(5-3-6)11(8,9)10/h6-10H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1