[5-acetamido-2-(4-bromophenyl)carbonyloxy-phenyl]methyl-diethyl-azanium

Systemtic Name: [5-acetamido-2-(4-bromophenyl)carbonyloxy-phenyl]methyl-diethyl-azanium Openeye Name: [5-acetamido-2-(4-bromobenzoyl)oxy-phenyl]methyl-diethyl-ammonium CAS Name: [5-acetamido-2-[(4-bromophenyl)-oxomethoxy]phenyl]methyl-diethylammonium IUPAC Name: [5-acetamido-2-(4-bromobenzoyl)oxyphenyl]methyl-diethylazanium Traditional Name: [5-acetamido-2-(4-bromobenzoyl)oxy-benzyl]-diethyl-ammonium Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3/c1-4-23(5-2)13-16-12-18(22-14(3)24)10-11-19(16)26-20(25)15-6-8-17(21)9-7-15/h6-12H,4-5,13H2,1-3H3,(H,22,24)/p+1