[9-(2-carboxyphenyl)-6-(methylamino)xanthen-3-ylidene]-methyl-azanium chloride

Systemtic Name: [9-(2-carboxyphenyl)-6-(methylamino)xanthen-3-ylidene]-methyl-azanium chloride Openeye Name: [9-(2-carboxyphenyl)-6-(methylamino)xanthen-3-ylidene]-methyl-ammonium chloride CAS Name: [9-(2-carboxyphenyl)-6-(methylamino)-3-xanthenylidene]-methylammonium chloride IUPAC Name: [9-(2-carboxyphenyl)-6-(methylamino)xanthen-3-ylidene]-methylazanium chloride Traditional Name: [9-(2-carboxyphenyl)-6-(methylamino)xanthen-3-ylidene]-methyl-ammonium chloride Formula: C22H19ClN2O3 MolecularWeight: 394.85086

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1)C(=C3C=CC(=[NH+]C)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]

Isomeric SMILES

CNC1=CC2=C(C=C1)C(=C3C=CC(=[NH+]C)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]

InChI

InChI=1S/C22H18N2O3.ClH/c1-23-13-7-9-17-19(11-13)27-20-12-14(24-2)8-10-18(20)21(17)15-5-3-4-6-16(15)22(25)26;/h3-12,23H,1-2H3,(H,25,26);1H