[6-(diethylamino)-9-(4-ethoxycarbonyl-2-methyl-phenyl)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [6-(diethylamino)-9-(4-ethoxycarbonyl-2-methyl-phenyl)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [6-(diethylamino)-9-(4-ethoxycarbonyl-2-methyl-phenyl)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-(4-ethoxycarbonyl-2-methylphenyl)-3-xanthenylidene]-diethylammonium IUPAC Name: [6-(diethylamino)-9-(4-ethoxycarbonyl-2-methylphenyl)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-(4-carbethoxy-2-methyl-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C31H37N2O3+ MolecularWeight: 485.63708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C(=O)OCC)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C(=O)OCC)C

InChI

InChI=1S/C31H37N2O3/c1-7-32(8-2)23-13-16-26-28(19-23)36-29-20-24(33(9-3)10-4)14-17-27(29)30(26)25-15-12-22(18-21(25)6)31(34)35-11-5/h12-20H,7-11H2,1-6H3/q+1