[4-[5-(2-azaniumylethyl)-2-fluoranyl-phenyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[5-(2-azaniumylethyl)-2-fluoranyl-phenyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[5-(2-azaniumylethyl)-2-fluoro-phenyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[5-(2-ammonioethyl)-2-fluorophenyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[5-(2-azaniumylethyl)-2-fluorophenyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[5-(2-ammonioethyl)-2-fluoro-phenyl]benzyl]-dimethyl-ammonium Formula: C17H23FN2+2 MolecularWeight: 274.376323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)C2=C(C=CC(=C2)CC[NH3+])F

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)C2=C(C=CC(=C2)CC[NH3+])F

InChI

InChI=1S/C17H21FN2/c1-20(2)12-14-3-6-15(7-4-14)16-11-13(9-10-19)5-8-17(16)18/h3-8,11H,9-10,12,19H2,1-2H3/p+2