[4-[6-(4-dimethylaminophenyl)-4-phenyl-thiopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium chloride

Systemtic Name: [4-[6-(4-dimethylaminophenyl)-4-phenyl-thiopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium chloride Openeye Name: [4-[6-(4-dimethylaminophenyl)-4-phenyl-thiopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium chloride CAS Name: [4-[6-(4-dimethylaminophenyl)-4-phenyl-2-thiopyranylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium chloride IUPAC Name: [4-[6-(4-dimethylaminophenyl)-4-phenylthiopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride Traditional Name: [4-[6-(4-dimethylaminophenyl)-4-phenyl-thiopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium chloride Formula: C27H27ClN2S MolecularWeight: 447.03468

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=CC(=CC(=C3C=CC(=[N+](C)C)C=C3)S2)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC(=CC(=C3C=CC(=[N+](C)C)C=C3)S2)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H27N2S.ClH/c1-28(2)24-14-10-21(11-15-24)26-18-23(20-8-6-5-7-9-20)19-27(30-26)22-12-16-25(17-13-22)29(3)4;/h5-19H,1-4H3;1H/q+1;/p-1