diethyl-methyl-[2-(9H-xanthen-9-ylcarbonyloxy)ethyl]azanium bromide

Systemtic Name: diethyl-methyl-[2-(9H-xanthen-9-ylcarbonyloxy)ethyl]azanium bromide Openeye Name: diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium bromide CAS Name: diethyl-methyl-[2-[oxo(9H-xanthen-9-yl)methoxy]ethyl]ammonium bromide IUPAC Name: diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide Traditional Name: diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium bromide Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.[Br-]

InChI

InChI=1S/C21H26NO3.BrH/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20;/h6-13,20H,4-5,14-15H2,1-3H3;1H/q+1;/p-1