(2E)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline; 4-methylbenzenesulfonate

Systemtic Name: (2E)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline; 4-methylbenzenesulfonate Openeye Name: (2E)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline; 4-methylbenzenesulfonate CAS Name: (2E)-1-ethyl-2-[(E)-3-(1-ethyl-2-quinolin-1-iumyl)prop-2-enylidene]quinoline; 4-methylbenzenesulfonate IUPAC Name: (2E)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline; 4-methylbenzenesulfonate Traditional Name: (2E)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline tosylate Formula: C32H32N2O3S MolecularWeight: 524.67308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN1/C(=C/C=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C25H25N2.C7H8O3S/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-19H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1