2-azaniumylethyl-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-(2-methylpropyl)azanium

Systemtic Name: 2-azaniumylethyl-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-(2-methylpropyl)azanium Openeye Name: 2-azaniumylethyl-[(2-chloro-6-fluoro-phenyl)methyl]-isobutyl-ammonium CAS Name: 2-ammonioethyl-[(2-chloro-6-fluorophenyl)methyl]-(2-methylpropyl)ammonium IUPAC Name: 2-azaniumylethyl-[(2-chloro-6-fluorophenyl)methyl]-(2-methylpropyl)azanium Traditional Name: 2-ammonioethyl-(2-chloro-6-fluoro-benzyl)-isobutyl-ammonium Formula: C13H22ClFN2+2 MolecularWeight: 260.778583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC[NH3+])CC1=C(C=CC=C1Cl)F

Isomeric SMILES

CC(C)C[NH+](CC[NH3+])CC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C13H20ClFN2/c1-10(2)8-17(7-6-16)9-11-12(14)4-3-5-13(11)15/h3-5,10H,6-9,16H2,1-2H3/p+2