[9-(2-carboxyethyl)-6-(diethylamino)xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [9-(2-carboxyethyl)-6-(diethylamino)xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [9-(2-carboxyethyl)-6-(diethylamino)xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [9-(2-carboxyethyl)-6-(diethylamino)-3-xanthenylidene]-dimethylammonium IUPAC Name: [9-(2-carboxyethyl)-6-(diethylamino)xanthen-3-ylidene]-dimethylazanium Traditional Name: [9-(2-carboxyethyl)-6-(diethylamino)xanthen-3-ylidene]-dimethyl-ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)CCC(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)CCC(=O)O

InChI

InChI=1S/C22H26N2O3/c1-5-24(6-2)16-8-10-19-17(11-12-22(25)26)18-9-7-15(23(3)4)13-20(18)27-21(19)14-16/h7-10,13-14H,5-6,11-12H2,1-4H3/p+1