[3-ethyl-4-(7-oxidanylidene-7-phenoxy-heptyl)icosan-3-yl]azanium bromide

Systemtic Name: [3-ethyl-4-(7-oxidanylidene-7-phenoxy-heptyl)icosan-3-yl]azanium bromide Openeye Name: [1,1-diethyl-2-(7-oxo-7-phenoxy-heptyl)octadecyl]ammonium bromide CAS Name: [3-ethyl-4-(7-oxo-7-phenoxyheptyl)eicosan-3-yl]ammonium bromide IUPAC Name: [3-ethyl-4-(7-oxo-7-phenoxyheptyl)icosan-3-yl]azanium bromide Traditional Name: [1,1-diethyl-2-(7-keto-7-phenoxy-heptyl)octadecyl]ammonium bromide Formula: C35H64BrNO2 MolecularWeight: 610.79216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCC(=O)OC1=CC=CC=C1)C(CC)(CC)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCC(=O)OC1=CC=CC=C1)C(CC)(CC)[NH3+].[Br-]

InChI

InChI=1S/C35H63NO2.BrH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-27-32(35(36,5-2)6-3)28-23-19-20-26-31-34(37)38-33-29-24-21-25-30-33;/h21,24-25,29-30,32H,4-20,22-23,26-28,31,36H2,1-3H3;1H