2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-methyl-quinolin-1-ium-8-ol; methyl sulfate

Systemtic Name: 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-methyl-quinolin-1-ium-8-ol; methyl sulfate Openeye Name: 2-[(E)-2-(4-hydroxyphenyl)vinyl]-1-methyl-quinolin-1-ium-8-ol; methyl sulfate CAS Name: 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-methyl-8-quinolin-1-iumol; methyl sulfate IUPAC Name: 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-methylquinolin-1-ium-8-ol; methyl sulfate Traditional Name: 2-[(E)-2-(4-hydroxyphenyl)vinyl]-1-methyl-quinolin-1-ium-8-ol; methyl sulfate Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=C1C(=CC=C2)O)C=CC3=CC=C(C=C3)O.COS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

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