[9-(2-butoxycarbonylphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium chloride

Systemtic Name: [9-(2-butoxycarbonylphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium chloride Openeye Name: [9-(2-butoxycarbonylphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium chloride CAS Name: [9-[2-[butoxy(oxo)methyl]phenyl]-6-(diethylamino)-3-xanthenylidene]-diethylammonium chloride IUPAC Name: [9-(2-butoxycarbonylphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium chloride Traditional Name: [9-(2-butoxycarbonylphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium chloride Formula: C32H39ClN2O3 MolecularWeight: 535.11666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](CC)CC)C=C3OC4=C2C=CC(=C4)N(CC)CC.[Cl-]

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](CC)CC)C=C3OC4=C2C=CC(=C4)N(CC)CC.[Cl-]

InChI

InChI=1S/C32H39N2O3.ClH/c1-6-11-20-36-32(35)26-15-13-12-14-25(26)31-27-18-16-23(33(7-2)8-3)21-29(27)37-30-22-24(17-19-28(30)31)34(9-4)10-5;/h12-19,21-22H,6-11,20H2,1-5H3;1H/q+1;/p-1