[4-[[2-(3-bromanylphenoxy)ethanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[2-(3-bromanylphenoxy)ethanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[2-(3-bromophenoxy)acetyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[2-(3-bromophenoxy)-1-oxoethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[2-(3-bromophenoxy)acetyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[[2-(3-bromophenoxy)acetyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C20H26BrN2O2+ MolecularWeight: 406.33664

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C20H25BrN2O2/c1-3-23(4-2)14-17-10-8-16(9-11-17)13-22-20(24)15-25-19-7-5-6-18(21)12-19/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)/p+1