2-[[2-(3-azanyl-6-dimethylazaniumylidene-xanthen-9-yl)phenyl]carbonyl-methyl-amino]ethanolate

Systemtic Name: 2-[[2-(3-azanyl-6-dimethylazaniumylidene-xanthen-9-yl)phenyl]carbonyl-methyl-amino]ethanolate Openeye Name: 2-[[2-(3-amino-6-dimethyliminio-xanthen-9-yl)benzoyl]-methyl-amino]ethanolate CAS Name: 2-[[[2-(3-amino-6-dimethyliminio-9-xanthenyl)phenyl]-oxomethyl]-methylamino]ethanolate IUPAC Name: 2-[[2-(3-amino-6-dimethylazaniumylidenexanthen-9-yl)benzoyl]-methylamino]ethanolate Traditional Name: 2-[[2-(3-amino-6-dimethyliminio-xanthen-9-yl)benzoyl]-methyl-amino]ethanolate Formula: C25H25N3O3 MolecularWeight: 415.4843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC[O-])C(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N

Isomeric SMILES

CN(CC[O-])C(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N

InChI

InChI=1S/C25H24N3O3/c1-27(2)17-9-11-21-23(15-17)31-22-14-16(26)8-10-20(22)24(21)18-6-4-5-7-19(18)25(30)28(3)12-13-29/h4-11,14-15,26H,12-13H2,1-3H3/q-1/p+1