[9-[5-(diethylcarbamoyl)thiophen-2-yl]-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [9-[5-(diethylcarbamoyl)thiophen-2-yl]-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-azanium Openeye Name: [9-[5-(diethylcarbamoyl)-2-thienyl]-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-ammonium CAS Name: [9-[5-[diethylamino(oxo)methyl]-2-thiophenyl]-6-(dimethylamino)-3-thioxanthenylidene]-dimethylammonium IUPAC Name: [9-[5-(diethylcarbamoyl)thiophen-2-yl]-6-(dimethylamino)thioxanthen-3-ylidene]-dimethylazanium Traditional Name: [9-[5-(diethylcarbamoyl)-2-thienyl]-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-ammonium Formula: C26H30N3OS2+ MolecularWeight: 464.6659

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(S1)C2=C3C=CC(=[N+](C)C)C=C3SC4=C2C=CC(=C4)N(C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(S1)C2=C3C=CC(=[N+](C)C)C=C3SC4=C2C=CC(=C4)N(C)C

InChI

InChI=1S/C26H30N3OS2/c1-7-29(8-2)26(30)22-14-13-21(31-22)25-19-11-9-17(27(3)4)15-23(19)32-24-16-18(28(5)6)10-12-20(24)25/h9-16H,7-8H2,1-6H3/q+1