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

Systemtic Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methyl-quinolin-1-ium-8-ol; methyl sulfate Openeye Name: 2-[(E)-2-(4-methoxyphenyl)vinyl]-1-methyl-quinolin-1-ium-8-ol; methyl sulfate CAS Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methyl-8-quinolin-1-iumol; methyl sulfate IUPAC Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium-8-ol; methyl sulfate Traditional Name: 2-[(E)-2-(4-methoxyphenyl)vinyl]-1-methyl-quinolin-1-ium-8-ol; methyl sulfate Formula: C20H21NO6S MolecularWeight: 403.44884

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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)OC.COS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO2.CH4O4S/c1-20-16(10-6-14-7-12-17(22-2)13-8-14)11-9-15-4-3-5-18(21)19(15)20;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/b10-6+;