3-[(2-bromophenyl)carbonylamino]propyl-methyl-[3-[methyl-(phenylmethyl)azaniumyl]propyl]azanium

Systemtic Name: 3-[(2-bromophenyl)carbonylamino]propyl-methyl-[3-[methyl-(phenylmethyl)azaniumyl]propyl]azanium Openeye Name: benzyl-[3-[3-[(2-bromobenzoyl)amino]propyl-methyl-ammonio]propyl]-methyl-ammonium CAS Name: 3-[[(2-bromophenyl)-oxomethyl]amino]propyl-methyl-[3-[methyl-(phenylmethyl)ammonio]propyl]ammonium IUPAC Name: benzyl-[3-[3-[(2-bromobenzoyl)amino]propyl-methylazaniumyl]propyl]-methylazanium Traditional Name: benzyl-[3-[3-[(2-bromobenzoyl)amino]propyl-methyl-ammonio]propyl]-methyl-ammonium Formula: C22H32BrN3O+2 MolecularWeight: 434.41298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC=CC=C1Br)CCC[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC=CC=C1Br)CCC[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C22H30BrN3O/c1-25(16-9-17-26(2)18-19-10-4-3-5-11-19)15-8-14-24-22(27)20-12-6-7-13-21(20)23/h3-7,10-13H,8-9,14-18H2,1-2H3,(H,24,27)/p+2