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A1EI4

Summary
Name:[9-(2-carboxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Synonyms:9-(2-carboxyphenyl)-3,6-bis(dimethylamino)xanthylium
Formula:C24 H23 N2 O3
Formal charge:1
Formula weight:387.451 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[9-(2-carboxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H22N2O3/c1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28/h5-14H,1-4H3/p+1
InChIKeyInChI1.06ABZLKHKQJHEPAX-UHFFFAOYSA-O
SMILES_CANONICALCACTVS3.385CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccccc4C(O)=O)=[N+](C)C)c1
SMILESCACTVS3.385CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccccc4C(O)=O)=[N+](C)C)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccccc4C(=O)O
SMILESOpenEye OEToolkits2.0.7CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccccc4C(=O)O

252091

PDB entries from 2026-04-15

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