2-[(E)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinolin-1-ium-8-ol; methyl hydrogen sulfate

Systemtic Name: 2-[(E)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinolin-1-ium-8-ol; methyl hydrogen sulfate Openeye Name: 2-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]-1-methyl-quinolin-1-ium-8-ol; methyl hydrogen sulfate CAS Name: 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-methyl-8-quinolin-1-iumol; sulfuric acid methyl ester IUPAC Name: 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium-8-ol; methyl hydrogen sulfate Traditional Name: 2-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]-1-methyl-quinolin-1-ium-8-ol; sulfuric acid methyl ester Formula: C20H22NO7S+ MolecularWeight: 420.45618

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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)OC.COS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO3.CH4O4S/c1-20-15(10-8-14-4-3-5-17(22)19(14)20)9-6-13-7-11-16(21)18(12-13)23-2;1-5-6(2,3)4/h3-12,22H,1-2H3;1H3,(H,2,3,4)/p+1