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

Systemtic Name: 2-[[2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]phenyl]carbonyl-methyl-amino]ethanolate Openeye Name: 2-[[2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]benzoyl]-methyl-amino]ethanolate CAS Name: 2-[[[2-[3-(dimethylamino)-6-dimethyliminio-9-xanthenyl]phenyl]-oxomethyl]-methylamino]ethanolate IUPAC Name: 2-[[2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoyl]-methylamino]ethanolate Traditional Name: 2-[[2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]benzoyl]-methyl-amino]ethanolate Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)N(C)CC[O-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)N(C)CC[O-]

InChI

InChI=1S/C27H29N3O3/c1-28(2)18-10-12-22-24(16-18)33-25-17-19(29(3)4)11-13-23(25)26(22)20-8-6-7-9-21(20)27(32)30(5)14-15-31/h6-13,16-17H,14-15H2,1-5H3