[2-[[(4-bromanyl-3,5-dimethoxy-phenyl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[(4-bromanyl-3,5-dimethoxy-phenyl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[(4-bromo-3,5-dimethoxy-benzoyl)amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[(4-bromo-3,5-dimethoxyphenyl)-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[(4-bromo-3,5-dimethoxy-benzoyl)amino]methyl]benzyl]-diethyl-ammonium Formula: C21H28BrN2O3+ MolecularWeight: 436.36262

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C(=C2)OC)Br)OC

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C(=C2)OC)Br)OC

InChI

InChI=1S/C21H27BrN2O3/c1-5-24(6-2)14-16-10-8-7-9-15(16)13-23-21(25)17-11-18(26-3)20(22)19(12-17)27-4/h7-12H,5-6,13-14H2,1-4H3,(H,23,25)/p+1