2-[2-(3,4-dimethylphenyl)-3-methyl-pentanoyl]oxyethyl-diethyl-methyl-azanium bromide

Systemtic Name: 2-[2-(3,4-dimethylphenyl)-3-methyl-pentanoyl]oxyethyl-diethyl-methyl-azanium bromide Openeye Name: 2-[2-(3,4-dimethylphenyl)-3-methyl-pentanoyl]oxyethyl-diethyl-methyl-ammonium bromide CAS Name: 2-[2-(3,4-dimethylphenyl)-3-methyl-1-oxopentoxy]ethyl-diethyl-methylammonium bromide IUPAC Name: 2-[2-(3,4-dimethylphenyl)-3-methylpentanoyl]oxyethyl-diethyl-methylazanium bromide Traditional Name: 2-[2-(3,4-dimethylphenyl)-3-methyl-pentanoyl]oxyethyl-diethyl-methyl-ammonium bromide Formula: C21H36BrNO2 MolecularWeight: 414.42004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36NO2.BrH/c1-8-16(4)20(19-12-11-17(5)18(6)15-19)21(23)24-14-13-22(7,9-2)10-3;/h11-12,15-16,20H,8-10,13-14H2,1-7H3;1H/q+1;/p-1