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

Systemtic Name: [5-(azaniumylmethyl)-2-fluoranyl-phenyl]methyl-dibutyl-azanium Openeye Name: [5-(azaniumylmethyl)-2-fluoro-phenyl]methyl-dibutyl-ammonium CAS Name: [5-(ammoniomethyl)-2-fluorophenyl]methyl-dibutylammonium IUPAC Name: [5-(azaniumylmethyl)-2-fluorophenyl]methyl-dibutylazanium Traditional Name: [5-(ammoniomethyl)-2-fluoro-benzyl]-dibutyl-ammonium Formula: C16H29FN2+2 MolecularWeight: 268.413263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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