methyl-di(propan-2-yl)-[2-(9H-xanthen-9-ylcarbonyloxy)ethyl]azanium bromide

Systemtic Name: methyl-di(propan-2-yl)-[2-(9H-xanthen-9-ylcarbonyloxy)ethyl]azanium bromide Openeye Name: diisopropyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium bromide CAS Name: methyl-[2-[oxo(9H-xanthen-9-yl)methoxy]ethyl]-di(propan-2-yl)ammonium bromide IUPAC Name: methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide Traditional Name: diisopropyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium bromide Formula: C23H30BrNO3 MolecularWeight: 448.3932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30NO3.BrH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H/q+1;/p-1