[6-azanyl-9-[2-[2-hydroxyethyl(methyl)carbamoyl]phenyl]xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [6-azanyl-9-[2-[2-hydroxyethyl(methyl)carbamoyl]phenyl]xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [6-amino-9-[2-[2-hydroxyethyl(methyl)carbamoyl]phenyl]xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [6-amino-9-[2-[[2-hydroxyethyl(methyl)amino]-oxomethyl]phenyl]-3-xanthenylidene]-dimethylammonium IUPAC Name: [6-amino-9-[2-[2-hydroxyethyl(methyl)carbamoyl]phenyl]xanthen-3-ylidene]-dimethylazanium Traditional Name: [6-amino-9-[2-[2-hydroxyethyl(methyl)carbamoyl]phenyl]xanthen-3-ylidene]-dimethyl-ammonium Formula: C25H26N3O3+ MolecularWeight: 416.49224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3/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/h4-11,14-15,26,29H,12-13H2,1-3H3/p+1