[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-8a,10a-dihydroxanthen-3-ylidene]-ethyl-azanium

Systemtic Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-8a,10a-dihydroxanthen-3-ylidene]-ethyl-azanium Openeye Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-8a,10a-dihydroxanthen-3-ylidene]-ethyl-ammonium CAS Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-8a,10a-dihydroxanthen-3-ylidene]-ethylammonium IUPAC Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-8a,10a-dihydroxanthen-3-ylidene]-ethylazanium Traditional Name: [9-(2-carbethoxyphenyl)-6-(ethylamino)-2,7-dimethyl-8a,10a-dihydroxanthen-3-ylidene]-ethyl-ammonium Formula: C28H33N2O3+ MolecularWeight: 445.57322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC

Isomeric SMILES

CCNC1=CC2C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC

InChI

InChI=1S/C28H32N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,21,25,29H,6-8H2,1-5H3/p+1