[2-[[3-[(4-bromophenyl)carbonylamino]propanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[3-[(4-bromophenyl)carbonylamino]propanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[3-[(4-bromobenzoyl)amino]propanoylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[3-[(4-bromobenzoyl)amino]propanoylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[3-[(4-bromobenzoyl)amino]propanoylamino]methyl]benzyl]-diethyl-ammonium Formula: C22H29BrN3O2+ MolecularWeight: 447.38856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O2/c1-3-26(4-2)16-19-8-6-5-7-18(19)15-25-21(27)13-14-24-22(28)17-9-11-20(23)12-10-17/h5-12H,3-4,13-16H2,1-2H3,(H,24,28)(H,25,27)/p+1