3-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-carbonyl]amino]propyl-dimethyl-ammonium Formula: C18H29ClFN3O+2 MolecularWeight: 357.893763

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1CC[NH+](CC1)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1CC[NH+](CC1)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C18H27ClFN3O/c1-22(2)10-4-9-21-18(24)14-7-11-23(12-8-14)13-15-16(19)5-3-6-17(15)20/h3,5-6,14H,4,7-13H2,1-2H3,(H,21,24)/p+2