[5-(dimethylamino)-8-(2-methoxycarbonylphenyl)thioxanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [5-(dimethylamino)-8-(2-methoxycarbonylphenyl)thioxanthen-3-ylidene]-dimethyl-azanium Openeye Name: [5-(dimethylamino)-8-(2-methoxycarbonylphenyl)thioxanthen-3-ylidene]-dimethyl-ammonium CAS Name: [5-(dimethylamino)-8-(2-methoxycarbonylphenyl)-3-thioxanthenylidene]-dimethylammonium IUPAC Name: [5-(dimethylamino)-8-(2-methoxycarbonylphenyl)thioxanthen-3-ylidene]-dimethylazanium Traditional Name: [8-(2-carbomethoxyphenyl)-5-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-ammonium Formula: C25H25N2O2S+ MolecularWeight: 417.5432

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C2C(=C(C=C1)C3=CC=CC=C3C(=O)OC)C=C4C=CC(=[N+](C)C)C=C4S2

Isomeric SMILES

CN(C)C1=C2C(=C(C=C1)C3=CC=CC=C3C(=O)OC)C=C4C=CC(=[N+](C)C)C=C4S2

InChI

InChI=1S/C25H25N2O2S/c1-26(2)17-11-10-16-14-21-19(18-8-6-7-9-20(18)25(28)29-5)12-13-22(27(3)4)24(21)30-23(16)15-17/h6-15H,1-5H3/q+1