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

Systemtic Name: methyl hydrogen sulfate; 1-methyl-2-[(E)-2-(2-oxidanylnaphthalen-1-yl)ethenyl]quinolin-1-ium-8-ol Openeye Name: 2-[(E)-2-(2-hydroxy-1-naphthyl)vinyl]-1-methyl-quinolin-1-ium-8-ol; methyl hydrogen sulfate CAS Name: 2-[(E)-2-(2-hydroxy-1-naphthalenyl)ethenyl]-1-methyl-8-quinolin-1-iumol; sulfuric acid methyl ester IUPAC Name: 2-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-1-methylquinolin-1-ium-8-ol; methyl hydrogen sulfate Traditional Name: 2-[(E)-2-(2-hydroxy-1-naphthyl)vinyl]-1-methyl-quinolin-1-ium-8-ol; sulfuric acid methyl ester Formula: C23H22NO6S+ MolecularWeight: 440.48888

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=C1C(=CC=C2)O)C=CC3=C(C=CC4=CC=CC=C43)O.COS(=O)(=O)O

Isomeric SMILES

C[N+]1=C(C=CC2=C1C(=CC=C2)O)/C=C/C3=C(C=CC4=CC=CC=C43)O.COS(=O)(=O)O

InChI

InChI=1S/C22H17NO2.CH4O4S/c1-23-17(11-9-16-6-4-8-21(25)22(16)23)12-13-19-18-7-3-2-5-15(18)10-14-20(19)24;1-5-6(2,3)4/h2-14,25H,1H3;1H3,(H,2,3,4)/p+1