[(3R)-1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3R)-1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-yl]methylazanium Openeye Name: [(3R)-1-[2-(4-fluoroanilino)-2-oxo-ethyl]piperidin-1-ium-3-yl]methylammonium CAS Name: [(3R)-1-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-1-iumyl]methylammonium IUPAC Name: [(3R)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-1-ium-3-yl]methylazanium Traditional Name: [(3R)-1-[2-(4-fluoroanilino)-2-keto-ethyl]piperidin-1-ium-3-yl]methylammonium Formula: C14H22FN3O+2 MolecularWeight: 267.342383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC=C(C=C2)F)C[NH3+]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=C(C=C2)F)C[NH3+]

InChI

InChI=1S/C14H20FN3O/c15-12-3-5-13(6-4-12)17-14(19)10-18-7-1-2-11(8-16)9-18/h3-6,11H,1-2,7-10,16H2,(H,17,19)/p+2/t11-/m1/s1