3-[2-(4-bromanyl-2,3,5-trimethyl-phenoxy)ethanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(4-bromanyl-2,3,5-trimethyl-phenoxy)ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-bromo-2,3,5-trimethyl-phenoxy)acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-bromo-2,3,5-trimethylphenoxy)-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-bromo-2,3,5-trimethylphenoxy)acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-bromo-2,3,5-trimethyl-phenoxy)acetyl]amino]propyl-dimethyl-ammonium Formula: C16H26BrN2O2+ MolecularWeight: 358.29384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Br)C)C)OCC(=O)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C(=C1Br)C)C)OCC(=O)NCCC[NH+](C)C

InChI

InChI=1S/C16H25BrN2O2/c1-11-9-14(12(2)13(3)16(11)17)21-10-15(20)18-7-6-8-19(4)5/h9H,6-8,10H2,1-5H3,(H,18,20)/p+1