[7-dimethylazaniumylidene-1-[4-[(E,3Z)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]-9-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]nonan-3-ylidene]-dimethyl-azanium tetraiodide

Systemtic Name: [7-dimethylazaniumylidene-1-[4-[(E,3Z)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]-9-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]nonan-3-ylidene]-dimethyl-azanium tetraiodide Openeye Name: [5-dimethyliminio-7-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]-1-[2-[4-[(E,3Z)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]ethyl]heptylidene]-dimethyl-ammonium tetraiodide CAS Name: [7-dimethyliminio-1-[4-[(E,3Z)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-quinolin-1-iumyl]-9-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-quinolin-1-iumyl]nonan-3-ylidene]-dimethylammonium tetraiodide IUPAC Name: [7-dimethylazaniumylidene-1-[4-[(E,3Z)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]-9-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]nonan-3-ylidene]-dimethylazanium tetraiodide Traditional Name: [5-dimethyliminio-7-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]-1-[2-[4-[(E,3Z)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]ethyl]heptylidene]-dimethyl-ammonium tetraiodide Formula: C53H58I4N6S2 MolecularWeight: 1350.8157

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC=CC3=CC=[N+](C4=CC=CC=C34)CCC(=[N+](C)C)CCCC(=[N+](C)C)CC[N+]5=CC=C(C6=CC=CC=C65)C=CC=C7N(C8=CC=CC=C8S7)C.[I-].[I-].[I-].[I-]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C/C=C/C3=CC=[N+](C4=CC=CC=C34)CCC(=[N+](C)C)CCCC(=[N+](C)C)CC[N+]5=CC=C(C6=CC=CC=C65)/C=C/C=C\7/N(C8=CC=CC=C8S7)C.[I-].[I-].[I-].[I-]

InChI

InChI=1S/C53H58N6S2.4HI/c1-54(2)42(34-38-58-36-32-40(44-22-7-9-24-46(44)58)18-15-30-52-56(5)48-26-11-13-28-50(48)60-52)20-17-21-43(55(3)4)35-39-59-37-33-41(45-23-8-10-25-47(45)59)19-16-31-53-57(6)49-27-12-14-29-51(49)61-53;;;;/h7-16,18-19,22-33,36-37H,17,20-21,34-35,38-39H2,1-6H3;4*1H/q+4;;;;/p-4