3-[[5-[(3-chlorophenyl)carbonylamino]-2-pyrrolidin-1-yl-phenyl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-[(3-chlorophenyl)carbonylamino]-2-pyrrolidin-1-yl-phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[5-[(3-chlorobenzoyl)amino]-2-pyrrolidin-1-yl-benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[5-[[(3-chlorophenyl)-oxomethyl]amino]-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[5-[(3-chlorobenzoyl)amino]-2-pyrrolidin-1-ylbenzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[5-[(3-chlorobenzoyl)amino]-2-pyrrolidino-benzoyl]amino]propyl-dimethyl-ammonium Formula: C23H30ClN4O2+ MolecularWeight: 429.9629

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)Cl)N3CCCC3

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)Cl)N3CCCC3

InChI

InChI=1S/C23H29ClN4O2/c1-27(2)12-6-11-25-23(30)20-16-19(9-10-21(20)28-13-3-4-14-28)26-22(29)17-7-5-8-18(24)15-17/h5,7-10,15-16H,3-4,6,11-14H2,1-2H3,(H,25,30)(H,26,29)/p+1