(2E)-1-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-6-methyl-quinoline; 4-methylbenzenesulfonate

Systemtic Name: (2E)-1-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-6-methyl-quinoline; 4-methylbenzenesulfonate Openeye Name: (2E)-1-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-6-methyl-quinoline; 4-methylbenzenesulfonate CAS Name: (2E)-1-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-iumyl)methylidene]-6-methylquinoline; 4-methylbenzenesulfonate IUPAC Name: (2E)-1-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-6-methylquinoline; 4-methylbenzenesulfonate Traditional Name: (2E)-1-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-6-methyl-quinoline tosylate Formula: C32H34N2O3S MolecularWeight: 526.68896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=[N+](C3=C(C=C2)C=C(C=C3)C)CC)C=CC4=C1C=CC(=C4)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN1/C(=C/C2=[N+](C3=C(C=C2)C=C(C=C3)C)CC)/C=CC4=C1C=CC(=C4)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C25H27N2.C7H8O3S/c1-5-26-22(11-9-20-15-18(3)7-13-24(20)26)17-23-12-10-21-16-19(4)8-14-25(21)27(23)6-2;1-6-2-4-7(5-3-6)11(8,9)10/h7-17H,5-6H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1