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

Systemtic Name: 3-[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]propyl-dimethyl-ammonium Formula: C14H22BrN2O2+ MolecularWeight: 330.24068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NCCC[NH+](C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NCCC[NH+](C)C

InChI

InChI=1S/C14H21BrN2O2/c1-11-9-12(15)5-6-13(11)19-10-14(18)16-7-4-8-17(2)3/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,18)/p+1