2-(2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoyl)oxyethyl-diethyl-methyl-azanium bromide

Systemtic Name: 2-(2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoyl)oxyethyl-diethyl-methyl-azanium bromide Openeye Name: 2-[2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxyethyl-diethyl-methyl-ammonium bromide CAS Name: 2-(2-cyclopentyl-2-hydroxy-1-oxo-2-thiophen-2-ylethoxy)ethyl-diethyl-methylammonium bromide IUPAC Name: 2-(2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetyl)oxyethyl-diethyl-methylazanium bromide Traditional Name: 2-[2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxyethyl-diethyl-methyl-ammonium bromide Formula: C18H30BrNO3S MolecularWeight: 420.4047

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C(C1CCCC1)(C2=CC=CS2)O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C(C1CCCC1)(C2=CC=CS2)O.[Br-]

InChI

InChI=1S/C18H30NO3S.BrH/c1-4-19(3,5-2)12-13-22-17(20)18(21,15-9-6-7-10-15)16-11-8-14-23-16;/h8,11,14-15,21H,4-7,9-10,12-13H2,1-3H3;1H/q+1;/p-1