(2-chloranyl-6-fluoranyl-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)-(pyridin-4-ylmethyl)azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)-(pyridin-4-ylmethyl)azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)-(4-pyridylmethyl)ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[3-(4-morpholin-4-iumyl)propyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)-(pyridin-4-ylmethyl)azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-(3-morpholin-4-ium-4-ylpropyl)-(4-pyridylmethyl)ammonium Formula: C20H27ClFN3O+2 MolecularWeight: 379.899283

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH+](CC2=CC=NC=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1COCC[NH+]1CCC[NH+](CC2=CC=NC=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H25ClFN3O/c21-19-3-1-4-20(22)18(19)16-25(15-17-5-7-23-8-6-17)10-2-9-24-11-13-26-14-12-24/h1,3-8H,2,9-16H2/p+2