[9-[2-(diethylcarbamoyl)phenyl]-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [9-[2-(diethylcarbamoyl)phenyl]-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-azanium Openeye Name: [9-[2-(diethylcarbamoyl)phenyl]-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-ammonium CAS Name: [9-[2-[diethylamino(oxo)methyl]phenyl]-6-(dimethylamino)-3-thioxanthenylidene]-dimethylammonium IUPAC Name: [9-[2-(diethylcarbamoyl)phenyl]-6-(dimethylamino)thioxanthen-3-ylidene]-dimethylazanium Traditional Name: [9-[2-(diethylcarbamoyl)phenyl]-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-ammonium Formula: C28H32N3OS+ MolecularWeight: 458.63818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](C)C)C=C3SC4=C2C=CC(=C4)N(C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](C)C)C=C3SC4=C2C=CC(=C4)N(C)C

InChI

InChI=1S/C28H32N3OS/c1-7-31(8-2)28(32)22-12-10-9-11-21(22)27-23-15-13-19(29(3)4)17-25(23)33-26-18-20(30(5)6)14-16-24(26)27/h9-18H,7-8H2,1-6H3/q+1