3-[2-[(3,4-dichlorophenyl)carbonylamino]ethanoylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[2-[(3,4-dichlorophenyl)carbonylamino]ethanoylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[2-[[(3,4-dichlorophenyl)-oxomethyl]amino]-1-oxoethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]propyl]-methyl-ammonium Formula: C20H24Cl2N3O2+ MolecularWeight: 409.32946

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)CNC(=O)C1=CC(=C(C=C1)Cl)Cl)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC(=O)CNC(=O)C1=CC(=C(C=C1)Cl)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C20H23Cl2N3O2/c1-25(14-15-6-3-2-4-7-15)11-5-10-23-19(26)13-24-20(27)16-8-9-17(21)18(22)12-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,23,26)(H,24,27)/p+1