3-[[5-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]-2-pyrrolidin-1-yl-phenyl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]-2-pyrrolidin-1-yl-phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[5-[(3-chloro-2,2-dimethyl-propanoyl)amino]-2-pyrrolidin-1-yl-benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[5-[(3-chloro-2,2-dimethyl-1-oxopropyl)amino]-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[5-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyrrolidin-1-ylbenzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[5-[(3-chloro-2,2-dimethyl-propanoyl)amino]-2-pyrrolidino-benzoyl]amino]propyl-dimethyl-ammonium Formula: C21H34ClN4O2+ MolecularWeight: 409.97326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCl)C(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC[NH+](C)C

Isomeric SMILES

CC(C)(CCl)C(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC[NH+](C)C

InChI

InChI=1S/C21H33ClN4O2/c1-21(2,15-22)20(28)24-16-8-9-18(26-12-5-6-13-26)17(14-16)19(27)23-10-7-11-25(3)4/h8-9,14H,5-7,10-13,15H2,1-4H3,(H,23,27)(H,24,28)/p+1