[9-[2-(2-bromoethylcarbamoyl)phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-[2-(2-bromoethylcarbamoyl)phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-[2-(2-bromoethylcarbamoyl)phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-[2-[(2-bromoethylamino)-oxomethyl]phenyl]-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-[2-(2-bromoethylcarbamoyl)phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-[2-(2-bromoethylcarbamoyl)phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C30H35BrN3O2+ MolecularWeight: 549.5218

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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=CC=C4C(=O)NCCBr

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)NCCBr

InChI

InChI=1S/C30H34BrN3O2/c1-5-33(6-2)21-13-15-25-27(19-21)36-28-20-22(34(7-3)8-4)14-16-26(28)29(25)23-11-9-10-12-24(23)30(35)32-18-17-31/h9-16,19-20H,5-8,17-18H2,1-4H3/p+1