2-[4-[(5-bromanyl-2-oxidanylidene-indol-1-ium-3-yl)amino]phenyl]carbonyloxyethyl-diethyl-azanium

Systemtic Name: 2-[4-[(5-bromanyl-2-oxidanylidene-indol-1-ium-3-yl)amino]phenyl]carbonyloxyethyl-diethyl-azanium Openeye Name: 2-[4-[(5-bromo-2-oxo-indol-1-ium-3-yl)amino]benzoyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[4-[(5-bromo-2-oxo-3-indol-1-iumyl)amino]phenyl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[4-[(5-bromo-2-oxoindol-1-ium-3-yl)amino]benzoyl]oxyethyl-diethylazanium Traditional Name: 2-[4-[(5-bromo-2-keto-indol-1-ium-3-yl)amino]benzoyl]oxyethyl-diethyl-ammonium Formula: C21H24BrN3O3+2 MolecularWeight: 446.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=[NH+]C2=O)Br

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=[NH+]C2=O)Br

InChI

InChI=1S/C21H22BrN3O3/c1-3-25(4-2)11-12-28-21(27)14-5-8-16(9-6-14)23-19-17-13-15(22)7-10-18(17)24-20(19)26/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,24,26)/p+2