2-[1-(cyclopenten-1-yl)-3-oxidanyl-3-oxidanylidene-2-phenyl-propoxy]ethyl-diethyl-methyl-azanium bromide

Systemtic Name: 2-[1-(cyclopenten-1-yl)-3-oxidanyl-3-oxidanylidene-2-phenyl-propoxy]ethyl-diethyl-methyl-azanium bromide Openeye Name: 2-[1-(cyclopenten-1-yl)-3-hydroxy-3-oxo-2-phenyl-propoxy]ethyl-diethyl-methyl-ammonium bromide CAS Name: 2-[1-(1-cyclopentenyl)-3-hydroxy-3-oxo-2-phenylpropoxy]ethyl-diethyl-methylammonium bromide IUPAC Name: 2-[1-(cyclopenten-1-yl)-3-hydroxy-3-oxo-2-phenylpropoxy]ethyl-diethyl-methylazanium bromide Traditional Name: 2-[1-(cyclopenten-1-yl)-3-hydroxy-3-keto-2-phenyl-propoxy]ethyl-diethyl-methyl-ammonium bromide Formula: C21H32BrNO3 MolecularWeight: 426.38768

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(C1=CCCC1)C(C2=CC=CC=C2)C(=O)O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(C1=CCCC1)C(C2=CC=CC=C2)C(=O)O.[Br-]

InChI

InChI=1S/C21H31NO3.BrH/c1-4-22(3,5-2)15-16-25-20(18-13-9-10-14-18)19(21(23)24)17-11-7-6-8-12-17;/h6-8,11-13,19-20H,4-5,9-10,14-16H2,1-3H3;1H