3-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1H-pyrrol-2-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1H-pyrrol-2-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(2,3-dichlorophenyl)-oxomethyl]-1H-pyrrol-2-yl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carbonyl]amino]propyl-dimethyl-ammonium Formula: C17H20Cl2N3O2+ MolecularWeight: 369.2656

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=CC(=CN1)C(=O)C2=C(C(=CC=C2)Cl)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=CC(=CN1)C(=O)C2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C17H19Cl2N3O2/c1-22(2)8-4-7-20-17(24)14-9-11(10-21-14)16(23)12-5-3-6-13(18)15(12)19/h3,5-6,9-10,21H,4,7-8H2,1-2H3,(H,20,24)/p+1