3-[[5-[2,2-bis(chloranyl)ethanoylamino]-2-piperidin-1-yl-phenyl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-[2,2-bis(chloranyl)ethanoylamino]-2-piperidin-1-yl-phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[5-[(2,2-dichloroacetyl)amino]-2-(1-piperidyl)benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[5-[(2,2-dichloro-1-oxoethyl)amino]-2-(1-piperidinyl)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[5-[(2,2-dichloroacetyl)amino]-2-piperidin-1-ylbenzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[5-[(2,2-dichloroacetyl)amino]-2-piperidino-benzoyl]amino]propyl-dimethyl-ammonium Formula: C19H29Cl2N4O2+ MolecularWeight: 416.36516

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(Cl)Cl)N2CCCCC2

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(Cl)Cl)N2CCCCC2

InChI

InChI=1S/C19H28Cl2N4O2/c1-24(2)10-6-9-22-18(26)15-13-14(23-19(27)17(20)21)7-8-16(15)25-11-4-3-5-12-25/h7-8,13,17H,3-6,9-12H2,1-2H3,(H,22,26)(H,23,27)/p+1