1-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]benzo[e][1,3]benzothiazole; 4-methylbenzenesulfonate

Systemtic Name: 1-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]benzo[e][1,3]benzothiazole; 4-methylbenzenesulfonate Openeye Name: 1-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]benzo[e][1,3]benzothiazole; 4-methylbenzenesulfonate CAS Name: 1-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-iumyl)methylidene]benzo[e][1,3]benzothiazole; 4-methylbenzenesulfonate IUPAC Name: 1-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]benzo[e][1,3]benzothiazole; 4-methylbenzenesulfonate Traditional Name: 1-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]benzo[e][1,3]benzothiazole tosylate Formula: C33H32N2O3S2 MolecularWeight: 568.74878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=[N+](C3=C(C=C2)C=C(C=C3)C)CC)SC4=C1C5=CC=CC=C5C=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN1C(=CC2=[N+](C3=C(C=C2)C=C(C=C3)C)CC)SC4=C1C5=CC=CC=C5C=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C26H25N2S.C7H8O3S/c1-4-27-21(13-11-20-16-18(3)10-14-23(20)27)17-25-28(5-2)26-22-9-7-6-8-19(22)12-15-24(26)29-25;1-6-2-4-7(5-3-6)11(8,9)10/h6-17H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1