[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2-methyl-xanthen-3-ylidene]-ethyl-azanium

Systemtic Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2-methyl-xanthen-3-ylidene]-ethyl-azanium Openeye Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2-methyl-xanthen-3-ylidene]-ethyl-ammonium CAS Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2-methyl-3-xanthenylidene]-ethylammonium IUPAC Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2-methylxanthen-3-ylidene]-ethylazanium Traditional Name: [9-(2-carbethoxyphenyl)-6-(ethylamino)-2-methyl-xanthen-3-ylidene]-ethyl-ammonium Formula: C27H29N2O3+ MolecularWeight: 429.53076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C1)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC

Isomeric SMILES

CCNC1=CC2=C(C=C1)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC

InChI

InChI=1S/C27H28N2O3/c1-5-28-18-12-13-21-24(15-18)32-25-16-23(29-6-2)17(4)14-22(25)26(21)19-10-8-9-11-20(19)27(30)31-7-3/h8-16,28H,5-7H2,1-4H3/p+1