2-(3-cyclopentyl-3-oxidanyl-2-phenyl-propanoyl)oxyethyl-diethyl-methyl-azanium bromide

Systemtic Name: 2-(3-cyclopentyl-3-oxidanyl-2-phenyl-propanoyl)oxyethyl-diethyl-methyl-azanium bromide Openeye Name: 2-(3-cyclopentyl-3-hydroxy-2-phenyl-propanoyl)oxyethyl-diethyl-methyl-ammonium bromide CAS Name: 2-(3-cyclopentyl-3-hydroxy-1-oxo-2-phenylpropoxy)ethyl-diethyl-methylammonium bromide IUPAC Name: 2-(3-cyclopentyl-3-hydroxy-2-phenylpropanoyl)oxyethyl-diethyl-methylazanium bromide Traditional Name: 2-(3-cyclopentyl-3-hydroxy-2-phenyl-propanoyl)oxyethyl-diethyl-methyl-ammonium bromide Formula: C21H34BrNO3 MolecularWeight: 428.40356

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2CCCC2)O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2CCCC2)O.[Br-]

InChI

InChI=1S/C21H34NO3.BrH/c1-4-22(3,5-2)15-16-25-21(24)19(17-11-7-6-8-12-17)20(23)18-13-9-10-14-18;/h6-8,11-12,18-20,23H,4-5,9-10,13-16H2,1-3H3;1H/q+1;/p-1