ethyl-[6-(ethylamino)-9-[2-(2-hydroxyethyloxycarbonyl)phenyl]-2,7-dimethyl-xanthen-3-ylidene]azanium chloride

Systemtic Name: ethyl-[6-(ethylamino)-9-[2-(2-hydroxyethyloxycarbonyl)phenyl]-2,7-dimethyl-xanthen-3-ylidene]azanium chloride Openeye Name: ethyl-[6-(ethylamino)-9-[2-(2-hydroxyethoxycarbonyl)phenyl]-2,7-dimethyl-xanthen-3-ylidene]ammonium chloride CAS Name: ethyl-[6-(ethylamino)-9-[2-[2-hydroxyethoxy(oxo)methyl]phenyl]-2,7-dimethyl-3-xanthenylidene]ammonium chloride IUPAC Name: ethyl-[6-(ethylamino)-9-[2-(2-hydroxyethoxycarbonyl)phenyl]-2,7-dimethylxanthen-3-ylidene]azanium chloride Traditional Name: ethyl-[6-(ethylamino)-9-[2-(2-hydroxyethoxycarbonyl)phenyl]-2,7-dimethyl-xanthen-3-ylidene]ammonium chloride Formula: C28H31ClN2O4 MolecularWeight: 495.00974

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2C4=CC=CC=C4C(=O)OCCO)C)C.[Cl-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2C4=CC=CC=C4C(=O)OCCO)C)C.[Cl-]

InChI

InChI=1S/C28H30N2O4.ClH/c1-5-29-23-15-25-21(13-17(23)3)27(19-9-7-8-10-20(19)28(32)33-12-11-31)22-14-18(4)24(30-6-2)16-26(22)34-25;/h7-10,13-16,29,31H,5-6,11-12H2,1-4H3;1H