[4-(azaniumylmethyl)-2-fluoranyl-phenyl]methyl-dibutyl-azanium

Systemtic Name: [4-(azaniumylmethyl)-2-fluoranyl-phenyl]methyl-dibutyl-azanium Openeye Name: [4-(azaniumylmethyl)-2-fluoro-phenyl]methyl-dibutyl-ammonium CAS Name: [4-(ammoniomethyl)-2-fluorophenyl]methyl-dibutylammonium IUPAC Name: [4-(azaniumylmethyl)-2-fluorophenyl]methyl-dibutylazanium Traditional Name: [4-(ammoniomethyl)-2-fluoro-benzyl]-dibutyl-ammonium Formula: C16H29FN2+2 MolecularWeight: 268.413263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27FN2/c1-3-5-9-19(10-6-4-2)13-15-8-7-14(12-18)11-16(15)17/h7-8,11H,3-6,9-10,12-13,18H2,1-2H3/p+2