[2-[(3-azanyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-butyl-ethyl-azanium

Systemtic Name: [2-[(3-azanyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-butyl-ethyl-azanium Openeye Name: [2-(3-amino-4-fluoro-anilino)-2-oxo-ethyl]-butyl-ethyl-ammonium CAS Name: [2-(3-amino-4-fluoroanilino)-2-oxoethyl]-butyl-ethylammonium IUPAC Name: [2-(3-amino-4-fluoroanilino)-2-oxoethyl]-butyl-ethylazanium Traditional Name: [2-(3-amino-4-fluoro-anilino)-2-keto-ethyl]-butyl-ethyl-ammonium Formula: C14H23FN3O+ MolecularWeight: 268.350323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22FN3O/c1-3-5-8-18(4-2)10-14(19)17-11-6-7-12(15)13(16)9-11/h6-7,9H,3-5,8,10,16H2,1-2H3,(H,17,19)/p+1