[6-(dimethylamino)-9-(2-piperazin-1-ylcarbonylphenyl)xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [6-(dimethylamino)-9-(2-piperazin-1-ylcarbonylphenyl)xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [6-(dimethylamino)-9-[2-(piperazine-1-carbonyl)phenyl]xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [6-(dimethylamino)-9-[2-[oxo(1-piperazinyl)methyl]phenyl]-3-xanthenylidene]-dimethylammonium IUPAC Name: [6-(dimethylamino)-9-[2-(piperazine-1-carbonyl)phenyl]xanthen-3-ylidene]-dimethylazanium Traditional Name: [6-(dimethylamino)-9-[2-(piperazine-1-carbonyl)phenyl]xanthen-3-ylidene]-dimethyl-ammonium Formula: C28H31N4O2+ MolecularWeight: 455.57134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)N5CCNCC5

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)N5CCNCC5

InChI

InChI=1S/C28H31N4O2/c1-30(2)19-9-11-23-25(17-19)34-26-18-20(31(3)4)10-12-24(26)27(23)21-7-5-6-8-22(21)28(33)32-15-13-29-14-16-32/h5-12,17-18,29H,13-16H2,1-4H3/q+1