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

Systemtic Name: 4-methylbenzenesulfonate; (2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1H-indol-3-one Openeye Name: 4-methylbenzenesulfonate; (2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylene]indolin-3-one CAS Name: 4-methylbenzenesulfonate; (2Z)-2-[(1-methyl-4-quinolin-1-iumyl)methylidene]-1H-indol-3-one IUPAC Name: 4-methylbenzenesulfonate; (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 tosylate Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C2=CC=CC=C21)C=C3C(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C2=CC=CC=C21)/C=C\3/C(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H14N2O.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h2-12H,1H3;2-5H,1H3,(H,8,9,10)