3-[3-(diethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]propanoate

Systemtic Name: 3-[3-(diethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]propanoate Openeye Name: 3-[3-(diethylamino)-6-dimethyliminio-xanthen-9-yl]propanoate CAS Name: 3-[3-(diethylamino)-6-dimethyliminio-9-xanthenyl]propanoate IUPAC Name: 3-[3-(diethylamino)-6-dimethylazaniumylidenexanthen-9-yl]propanoate Traditional Name: 3-[3-(diethylamino)-6-dimethyliminio-xanthen-9-yl]propionate Formula: C22H26N2O3 MolecularWeight: 366.45344

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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