3-cyanopropyl-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 3-cyanopropyl-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 3-cyanopropyl-[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 3-cyanopropyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 3-cyanopropyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: 3-cyanopropyl-[2-(3-fluoroanilino)-2-keto-ethyl]-methyl-ammonium Formula: C13H17FN3O+ MolecularWeight: 250.291983

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCC#N)CC(=O)NC1=CC(=CC=C1)F

Isomeric SMILES

C[NH+](CCCC#N)CC(=O)NC1=CC(=CC=C1)F

InChI

InChI=1S/C13H16FN3O/c1-17(8-3-2-7-15)10-13(18)16-12-6-4-5-11(14)9-12/h4-6,9H,2-3,8,10H2,1H3,(H,16,18)/p+1