4-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]benzaldehyde; 4-methylbenzenesulfonate

Systemtic Name: 4-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]benzaldehyde; 4-methylbenzenesulfonate Openeye Name: 4-[(E)-2-(1-ethylquinolin-1-ium-4-yl)vinyl]benzaldehyde; 4-methylbenzenesulfonate CAS Name: 4-[(E)-2-(1-ethyl-4-quinolin-1-iumyl)ethenyl]benzaldehyde; 4-methylbenzenesulfonate IUPAC Name: 4-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]benzaldehyde; 4-methylbenzenesulfonate Traditional Name: 4-[(E)-2-(1-ethylquinolin-1-ium-4-yl)vinyl]benzaldehyde tosylate Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CC=C(C=C3)C=O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CC=C(C=C3)C=O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H18NO.C7H8O3S/c1-2-21-14-13-18(19-5-3-4-6-20(19)21)12-11-16-7-9-17(15-22)10-8-16;1-6-2-4-7(5-3-6)11(8,9)10/h3-15H,2H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b12-11+;