[4-[azaniumylidene(azanyl)methyl]-2-fluoranyl-phenyl]methyl-butyl-methyl-azanium

Systemtic Name: [4-[azaniumylidene(azanyl)methyl]-2-fluoranyl-phenyl]methyl-butyl-methyl-azanium Openeye Name: [4-[amino(azaniumylidene)methyl]-2-fluoro-phenyl]methyl-butyl-methyl-ammonium CAS Name: [4-[amino(iminio)methyl]-2-fluorophenyl]methyl-butyl-methylammonium IUPAC Name: [4-[amino(azaniumylidene)methyl]-2-fluorophenyl]methyl-butyl-methylazanium Traditional Name: [4-[amino(iminio)methyl]-2-fluoro-benzyl]-butyl-methyl-ammonium Formula: C13H22FN3+2 MolecularWeight: 239.332283

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=C(C=C1)C(=[NH2+])N)F

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=C(C=C1)C(=[NH2+])N)F

InChI

InChI=1S/C13H20FN3/c1-3-4-7-17(2)9-11-6-5-10(13(15)16)8-12(11)14/h5-6,8H,3-4,7,9H2,1-2H3,(H3,15,16)/p+2