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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=CC2=CC=[N+](C3=CC=CC=C23)CC)C=CC4=CC=CC=C41.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN1/C(=C/C=C/C2=CC=[N+](C3=CC=CC=C23)CC)/C=CC4=CC=CC=C41.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C25H25N2.C7H8O3S/c1-3-26-19-18-20(23-13-6-8-15-25(23)26)11-9-12-22-17-16-21-10-5-7-14-24(21)27(22)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