dimethyl-[1-[(3-oxidanylidene-1,2-dihydroinden-2-yl)oxy]ethylidene]azanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-[1-[(3-oxidanylidene-1,2-dihydroinden-2-yl)oxy]ethylidene]azanium; 4-methylbenzenesulfonate Openeye Name: dimethyl-[1-(1-oxoindan-2-yl)oxyethylidene]ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl-[1-[(3-oxo-1,2-dihydroinden-2-yl)oxy]ethylidene]ammonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-[1-[(3-oxo-1,2-dihydroinden-2-yl)oxy]ethylidene]azanium; 4-methylbenzenesulfonate Traditional Name: 1-(1-ketoindan-2-yl)oxyethylidene-dimethyl-ammonium 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-].CC(=[N+](C)C)OC1CC2=CC=CC=C2C1=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=[N+](C)C)OC1CC2=CC=CC=C2C1=O

InChI

InChI=1S/C13H16NO2.C7H8O3S/c1-9(14(2)3)16-12-8-10-6-4-5-7-11(10)13(12)15;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,12H,8H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1