[9-(2-carboxy-4-methyl-phenyl)-6-(diethylamino)xanthen-3-ylidene]-ethyl-methyl-azanium

Systemtic Name: [9-(2-carboxy-4-methyl-phenyl)-6-(diethylamino)xanthen-3-ylidene]-ethyl-methyl-azanium Openeye Name: [9-(2-carboxy-4-methyl-phenyl)-6-(diethylamino)xanthen-3-ylidene]-ethyl-methyl-ammonium CAS Name: [9-(2-carboxy-4-methylphenyl)-6-(diethylamino)-3-xanthenylidene]-ethyl-methylammonium IUPAC Name: [9-(2-carboxy-4-methylphenyl)-6-(diethylamino)xanthen-3-ylidene]-ethyl-methylazanium Traditional Name: [9-(2-carboxy-4-methyl-phenyl)-6-(diethylamino)xanthen-3-ylidene]-ethyl-methyl-ammonium Formula: C28H31N2O3+ MolecularWeight: 443.55734

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)CC)C=C3O2)C4=C(C=C(C=C4)C)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)CC)C=C3O2)C4=C(C=C(C=C4)C)C(=O)O

InChI

InChI=1S/C28H30N2O3/c1-6-29(5)19-10-13-22-25(16-19)33-26-17-20(30(7-2)8-3)11-14-23(26)27(22)21-12-9-18(4)15-24(21)28(31)32/h9-17H,6-8H2,1-5H3/p+1