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

Systemtic Name: 2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]ethyl-dimethyl-ammonium Formula: C13H20BrN2O2+ MolecularWeight: 316.2141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN2O2/c1-10-8-11(14)4-5-12(10)18-9-13(17)15-6-7-16(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,15,17)/p+1