diethyl-methyl-[2-(4-methyl-3-oxidanyl-2-phenyl-pentanoyl)oxyethyl]azanium bromide

Systemtic Name: diethyl-methyl-[2-(4-methyl-3-oxidanyl-2-phenyl-pentanoyl)oxyethyl]azanium bromide Openeye Name: diethyl-[2-(3-hydroxy-4-methyl-2-phenyl-pentanoyl)oxyethyl]-methyl-ammonium bromide CAS Name: diethyl-[2-(3-hydroxy-4-methyl-1-oxo-2-phenylpentoxy)ethyl]-methylammonium bromide IUPAC Name: diethyl-[2-(3-hydroxy-4-methyl-2-phenylpentanoyl)oxyethyl]-methylazanium bromide Traditional Name: diethyl-[2-(3-hydroxy-4-methyl-2-phenyl-pentanoyl)oxyethyl]-methyl-ammonium bromide Formula: C19H32BrNO3 MolecularWeight: 402.36628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32NO3.BrH/c1-6-20(5,7-2)13-14-23-19(22)17(18(21)15(3)4)16-11-9-8-10-12-16;/h8-12,15,17-18,21H,6-7,13-14H2,1-5H3;1H/q+1;/p-1