methyl-[2-[(4-methyl-9H-xanthen-9-yl)carbonyloxy]ethyl]-di(propan-2-yl)azanium bromide hydrate

Systemtic Name: methyl-[2-[(4-methyl-9H-xanthen-9-yl)carbonyloxy]ethyl]-di(propan-2-yl)azanium bromide hydrate Openeye Name: diisopropyl-methyl-[2-(4-methyl-9H-xanthene-9-carbonyl)oxyethyl]ammonium bromide hydrate CAS Name: methyl-[2-[(4-methyl-9H-xanthen-9-yl)-oxomethoxy]ethyl]-di(propan-2-yl)ammonium bromide hydrate IUPAC Name: methyl-[2-(4-methyl-9H-xanthene-9-carbonyl)oxyethyl]-di(propan-2-yl)azanium bromide hydrate Traditional Name: diisopropyl-methyl-[2-(4-methyl-9H-xanthene-9-carbonyl)oxyethyl]ammonium bromide hydrate Formula: C24H34BrNO4 MolecularWeight: 480.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=CC=CC=C3C2C(=O)OCC[N+](C)(C(C)C)C(C)C.O.[Br-]

Isomeric SMILES

CC1=CC=CC2=C1OC3=CC=CC=C3C2C(=O)OCC[N+](C)(C(C)C)C(C)C.O.[Br-]

InChI

InChI=1S/C24H32NO3.BrH.H2O/c1-16(2)25(6,17(3)4)14-15-27-24(26)22-19-11-7-8-13-21(19)28-23-18(5)10-9-12-20(22)23;;/h7-13,16-17,22H,14-15H2,1-6H3;1H;1H2/q+1;;/p-1