methyl hydrogen sulfate; (7E)-5-methyl-7-[(2E)-2-(1-methyl-8-oxidanyl-quinolin-2-ylidene)ethylidene]quinolin-1-ium-8-one

Systemtic Name: methyl hydrogen sulfate; (7E)-5-methyl-7-[(2E)-2-(1-methyl-8-oxidanyl-quinolin-2-ylidene)ethylidene]quinolin-1-ium-8-one Openeye Name: (7E)-7-[(2E)-2-(8-hydroxy-1-methyl-2-quinolylidene)ethylidene]-5-methyl-quinolin-1-ium-8-one; methyl hydrogen sulfate CAS Name: (7E)-7-[(2E)-2-(8-hydroxy-1-methyl-2-quinolinylidene)ethylidene]-5-methyl-8-quinolin-1-iumone; sulfuric acid methyl ester IUPAC Name: (7E)-7-[(2E)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-1-ium-8-one; methyl hydrogen sulfate Traditional Name: (7E)-7-[(2E)-2-(8-hydroxy-1-methyl-2-quinolylidene)ethylidene]-5-methyl-quinolin-1-ium-8-one; sulfuric acid methyl ester Formula: C23H23N2O6S+ MolecularWeight: 455.50352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C2C=CC3=C(N2C)C(=CC=C3)O)C(=O)C4=C1C=CC=[NH+]4.COS(=O)(=O)O

Isomeric SMILES

CC1=C/C(=C\C=C\2/C=CC3=C(N2C)C(=CC=C3)O)/C(=O)C4=C1C=CC=[NH+]4.COS(=O)(=O)O

InChI

InChI=1S/C22H18N2O2.CH4O4S/c1-14-13-16(22(26)20-18(14)6-4-12-23-20)9-11-17-10-8-15-5-3-7-19(25)21(15)24(17)2;1-5-6(2,3)4/h3-13,25H,1-2H3;1H3,(H,2,3,4)/p+1/b16-9+,17-11+;