methyl (2R)-2-[4-(5-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)ethanoate

Systemtic Name: methyl (2R)-2-[4-(5-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)ethanoate Openeye Name: methyl (2R)-2-[4-(5-cyano-2-pyridyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetate CAS Name: (2R)-2-[4-(5-cyano-2-pyridinyl)-1-piperazin-1-iumyl]-2-(4-fluorophenyl)acetic acid methyl ester IUPAC Name: methyl (2R)-2-[4-(5-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetate Traditional Name: (2R)-2-[4-(5-cyano-2-pyridyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetic acid methyl ester Formula: C19H20FN4O2+ MolecularWeight: 355.386103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)F)[NH+]2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

COC(=O)[C@@H](C1=CC=C(C=C1)F)[NH+]2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C19H19FN4O2/c1-26-19(25)18(15-3-5-16(20)6-4-15)24-10-8-23(9-11-24)17-7-2-14(12-21)13-22-17/h2-7,13,18H,8-11H2,1H3/p+1/t18-/m1/s1