triethyl-[3-(3-methyl-2-phenyl-pentanoyl)oxypropyl]azanium bromide

Systemtic Name: triethyl-[3-(3-methyl-2-phenyl-pentanoyl)oxypropyl]azanium bromide Openeye Name: triethyl-[3-(3-methyl-2-phenyl-pentanoyl)oxypropyl]ammonium bromide CAS Name: triethyl-[3-(3-methyl-1-oxo-2-phenylpentoxy)propyl]ammonium bromide IUPAC Name: triethyl-[3-(3-methyl-2-phenylpentanoyl)oxypropyl]azanium bromide Traditional Name: triethyl-[3-(3-methyl-2-phenyl-pentanoyl)oxypropyl]ammonium bromide Formula: C21H36BrNO2 MolecularWeight: 414.42004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36NO2.BrH/c1-6-18(5)20(19-14-11-10-12-15-19)21(23)24-17-13-16-22(7-2,8-3)9-4;/h10-12,14-15,18,20H,6-9,13,16-17H2,1-5H3;1H/q+1;/p-1