[6-azanyl-9-(2-ethoxycarbonylphenyl)-7-methyl-xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [6-azanyl-9-(2-ethoxycarbonylphenyl)-7-methyl-xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [6-amino-9-(2-ethoxycarbonylphenyl)-7-methyl-xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [6-amino-9-(2-ethoxycarbonylphenyl)-7-methyl-3-xanthenylidene]-dimethylammonium IUPAC Name: [6-amino-9-(2-ethoxycarbonylphenyl)-7-methylxanthen-3-ylidene]-dimethylazanium Traditional Name: [6-amino-9-(2-carbethoxyphenyl)-7-methyl-xanthen-3-ylidene]-dimethyl-ammonium Formula: C25H25N2O3+ MolecularWeight: 401.4776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](C)C)C=C3OC4=CC(=C(C=C42)C)N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](C)C)C=C3OC4=CC(=C(C=C42)C)N

InChI

InChI=1S/C25H24N2O3/c1-5-29-25(28)18-9-7-6-8-17(18)24-19-11-10-16(27(3)4)13-22(19)30-23-14-21(26)15(2)12-20(23)24/h6-14,26H,5H2,1-4H3/p+1