3-ethyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzoselenazole; 4-methylbenzenesulfonate

Systemtic Name: 3-ethyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzoselenazole; 4-methylbenzenesulfonate Openeye Name: 3-ethyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-5-methoxy-1,3-benzoselenazole; 4-methylbenzenesulfonate CAS Name: 3-ethyl-2-[(1-ethyl-6-methoxy-2-quinolin-1-iumyl)methylidene]-5-methoxy-1,3-benzoselenazole; 4-methylbenzenesulfonate IUPAC Name: 3-ethyl-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzoselenazole; 4-methylbenzenesulfonate Traditional Name: 3-ethyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-5-methoxy-1,3-benzoselenazole tosylate Formula: C30H32N2O5SSe MolecularWeight: 611.61048

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)OC)[Se]C1=CC3=[N+](C4=C(C=C3)C=C(C=C4)OC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN1C2=C(C=CC(=C2)OC)[Se]C1=CC3=[N+](C4=C(C=C3)C=C(C=C4)OC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C23H25N2O2Se.C7H8O3S/c1-5-24-17(8-7-16-13-18(26-3)9-11-20(16)24)14-23-25(6-2)21-15-19(27-4)10-12-22(21)28-23;1-6-2-4-7(5-3-6)11(8,9)10/h7-15H,5-6H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1