[6-(diethylamino)-9-(4-isothiocyanatophenyl)xanthen-3-ylidene]-diethyl-azanium chloride

Systemtic Name: [6-(diethylamino)-9-(4-isothiocyanatophenyl)xanthen-3-ylidene]-diethyl-azanium chloride Openeye Name: [6-(diethylamino)-9-(4-isothiocyanatophenyl)xanthen-3-ylidene]-diethyl-ammonium chloride CAS Name: [6-(diethylamino)-9-(4-isothiocyanatophenyl)-3-xanthenylidene]-diethylammonium chloride IUPAC Name: [6-(diethylamino)-9-(4-isothiocyanatophenyl)xanthen-3-ylidene]-diethylazanium chloride Traditional Name: [6-(diethylamino)-9-(4-isothiocyanatophenyl)xanthen-3-ylidene]-diethyl-ammonium chloride Formula: C28H30ClN3OS MolecularWeight: 492.0753

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=C(C=C4)N=C=S.[Cl-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=C(C=C4)N=C=S.[Cl-]

InChI

InChI=1S/C28H30N3OS.ClH/c1-5-30(6-2)22-13-15-24-26(17-22)32-27-18-23(31(7-3)8-4)14-16-25(27)28(24)20-9-11-21(12-10-20)29-19-33;/h9-18H,5-8H2,1-4H3;1H/q+1;/p-1