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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O3/c1-5-24(6-2)14-16-9-7-15(8-10-16)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