4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]benzaldehyde; methyl sulfate

Systemtic Name: 4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]benzaldehyde; methyl sulfate Openeye Name: 4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]benzaldehyde; methyl sulfate CAS Name: 4-[(E)-2-(1-methyl-2-quinolin-1-iumyl)ethenyl]benzaldehyde; methyl sulfate IUPAC Name: 4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]benzaldehyde; methyl sulfate Traditional Name: 4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]benzaldehyde; methyl sulfate Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC=C(C=C3)C=O.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)C=O.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H16NO.CH4O4S/c1-20-18(13-11-17-4-2-3-5-19(17)20)12-10-15-6-8-16(14-21)9-7-15;1-5-6(2,3)4/h2-14H,1H3;1H3,(H,2,3,4)/q+1;/p-1/b12-10+;