3-fluoranyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoate

Systemtic Name: 3-fluoranyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoate Openeye Name: 3-fluoro-4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoate CAS Name: 3-fluoro-4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoate IUPAC Name: 3-fluoro-4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoate Traditional Name: 3-fluoro-4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoate Formula: C13H17FN2O2 MolecularWeight: 252.284683

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)C(=O)[O-])F

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)C(=O)[O-])F

InChI

InChI=1S/C13H17FN2O2/c1-15-5-2-6-16(8-7-15)12-4-3-10(13(17)18)9-11(12)14/h3-4,9H,2,5-8H2,1H3,(H,17,18)