3-[(3-bromanyl-2,5-dimethoxy-phenyl)carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(3-bromanyl-2,5-dimethoxy-phenyl)carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(3-bromo-2,5-dimethoxy-benzoyl)amino]propyl]-methyl-ammonium CAS Name: 3-[[(3-bromo-2,5-dimethoxyphenyl)-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(3-bromo-2,5-dimethoxybenzoyl)amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(3-bromo-2,5-dimethoxy-benzoyl)amino]propyl]-methyl-ammonium Formula: C20H26BrN2O3+ MolecularWeight: 422.33604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC(=CC(=C1OC)Br)OC)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC(=CC(=C1OC)Br)OC)CC2=CC=CC=C2

InChI

InChI=1S/C20H25BrN2O3/c1-23(14-15-8-5-4-6-9-15)11-7-10-22-20(24)17-12-16(25-2)13-18(21)19(17)26-3/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,22,24)/p+1