2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1-methyl-quinolin-1-ium-8-ol; methyl hydrogen sulfate

Systemtic Name: 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1-methyl-quinolin-1-ium-8-ol; methyl hydrogen sulfate Openeye Name: 2-[(E)-2-(2-hydroxyphenyl)vinyl]-1-methyl-quinolin-1-ium-8-ol; methyl hydrogen sulfate CAS Name: 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1-methyl-8-quinolin-1-iumol; sulfuric acid methyl ester IUPAC Name: 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1-methylquinolin-1-ium-8-ol; methyl hydrogen sulfate Traditional Name: 2-[(E)-2-(2-hydroxyphenyl)vinyl]-1-methyl-quinolin-1-ium-8-ol; sulfuric acid methyl ester Formula: C19H20NO6S+ MolecularWeight: 390.4302

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=C1C(=CC=C2)O)C=CC3=CC=CC=C3O.COS(=O)(=O)O

Isomeric SMILES

C[N+]1=C(C=CC2=C1C(=CC=C2)O)/C=C/C3=CC=CC=C3O.COS(=O)(=O)O

InChI

InChI=1S/C18H15NO2.CH4O4S/c1-19-15(11-9-13-5-2-3-7-16(13)20)12-10-14-6-4-8-17(21)18(14)19;1-5-6(2,3)4/h2-12,21H,1H3;1H3,(H,2,3,4)/p+1