methyl-[2-(9-oxidanylxanthen-9-yl)carbonyloxyethyl]-di(propan-2-yl)azanium bromide

Systemtic Name: methyl-[2-(9-oxidanylxanthen-9-yl)carbonyloxyethyl]-di(propan-2-yl)azanium bromide Openeye Name: 2-(9-hydroxyxanthene-9-carbonyl)oxyethyl-diisopropyl-methyl-ammonium bromide CAS Name: 2-[(9-hydroxy-9-xanthenyl)-oxomethoxy]ethyl-methyl-di(propan-2-yl)ammonium bromide IUPAC Name: 2-(9-hydroxyxanthene-9-carbonyl)oxyethyl-methyl-di(propan-2-yl)azanium bromide Traditional Name: 2-(9-hydroxyxanthene-9-carbonyl)oxyethyl-diisopropyl-methyl-ammonium bromide Formula: C23H30BrNO4 MolecularWeight: 464.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(CCOC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)O)C(C)C.[Br-]

Isomeric SMILES

CC(C)[N+](C)(CCOC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)O)C(C)C.[Br-]

InChI

InChI=1S/C23H30NO4.BrH/c1-16(2)24(5,17(3)4)14-15-27-22(25)23(26)18-10-6-8-12-20(18)28-21-13-9-7-11-19(21)23;/h6-13,16-17,26H,14-15H2,1-5H3;1H/q+1;/p-1