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

Systemtic Name: [4-[[2-[(3-bromophenyl)carbonylamino]ethanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[2-[(3-bromobenzoyl)amino]acetyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[2-[[(3-bromophenyl)-oxomethyl]amino]-1-oxoethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[2-[(3-bromobenzoyl)amino]acetyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[[2-[(3-bromobenzoyl)amino]acetyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C21H27BrN3O2+ MolecularWeight: 433.36198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O2/c1-3-25(4-2)15-17-10-8-16(9-11-17)13-23-20(26)14-24-21(27)18-6-5-7-19(22)12-18/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27)/p+1