methanesulfonate; (2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1H-indol-3-one

Systemtic Name: methanesulfonate; (2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1H-indol-3-one Openeye Name: methanesulfonate; (2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylene]indolin-3-one CAS Name: methanesulfonate; (2Z)-2-[(1-methyl-4-quinolin-1-iumyl)methylidene]-1H-indol-3-one IUPAC Name: methanesulfonate; (2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1H-indol-3-one Traditional Name: (2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylene]pseudoindoxyl mesylate Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)C=C3C(=O)C4=CC=CC=C4N3.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)/C=C\3/C(=O)C4=CC=CC=C4N3.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H14N2O.CH4O3S/c1-21-11-10-13(14-6-3-5-9-18(14)21)12-17-19(22)15-7-2-4-8-16(15)20-17;1-5(2,3)4/h2-12H,1H3;1H3,(H,2,3,4)