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

Systemtic Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazole; 4-methylbenzenesulfonate Openeye Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-1,3-benzoselenazole; 4-methylbenzenesulfonate CAS Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-iumyl)methylidene]-1,3-benzoselenazole; 4-methylbenzenesulfonate IUPAC Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazole; 4-methylbenzenesulfonate Traditional Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-1,3-benzoselenazole tosylate Formula: C29H30N2O3SSe MolecularWeight: 565.5851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN\1C2=CC=CC=C2[Se]/C1=C\C3=[N+](C4=C(C=C3)C=C(C=C4)C)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H23N2Se.C7H8O3S/c1-4-23-18(12-11-17-14-16(3)10-13-19(17)23)15-22-24(5-2)20-8-6-7-9-21(20)25-22;1-6-2-4-7(5-3-6)11(8,9)10/h6-15H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1