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

Systemtic Name: 3-[2-(4-bromanyl-3,5-dimethyl-phenoxy)ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-bromo-3,5-dimethyl-phenoxy)acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-bromo-3,5-dimethylphenoxy)-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-bromo-3,5-dimethylphenoxy)acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-bromo-3,5-dimethyl-phenoxy)acetyl]amino]propyl-dimethyl-ammonium Formula: C15H24BrN2O2+ MolecularWeight: 344.26726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23BrN2O2/c1-11-8-13(9-12(2)15(11)16)20-10-14(19)17-6-5-7-18(3)4/h8-9H,5-7,10H2,1-4H3,(H,17,19)/p+1