(5-cyano-2-fluoranyl-phenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: (5-cyano-2-fluoro-phenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: (5-cyano-2-fluorophenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylammonium IUPAC Name: (5-cyano-2-fluorophenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylazanium Traditional Name: (5-cyano-2-fluoro-benzyl)-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-ethyl-ammonium Formula: C20H21FN3O3+ MolecularWeight: 370.397443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=CC(=C1)C#N)F)CC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[NH+](CC1=C(C=CC(=C1)C#N)F)CC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H20FN3O3/c1-2-24(12-15-9-14(11-22)3-5-17(15)21)13-20(25)23-16-4-6-18-19(10-16)27-8-7-26-18/h3-6,9-10H,2,7-8,12-13H2,1H3,(H,23,25)/p+1