(3-cyanophenyl)methyl-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (3-cyanophenyl)methyl-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (3-cyanophenyl)methyl-[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (3-cyanophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (3-cyanophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: (3-cyanobenzyl)-[2-(4-fluoroanilino)-2-keto-ethyl]-methyl-ammonium Formula: C17H17FN3O+ MolecularWeight: 298.334783

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC(=C1)C#N)CC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

C[NH+](CC1=CC=CC(=C1)C#N)CC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H16FN3O/c1-21(11-14-4-2-3-13(9-14)10-19)12-17(22)20-16-7-5-15(18)6-8-16/h2-9H,11-12H2,1H3,(H,20,22)/p+1