[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-pyridin-2-yl-methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-pyridin-2-yl-methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-pyridyl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(2-pyridinyl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-2-ylmethanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(2-pyridyl)methanone Formula: C18H21FN3O2+ MolecularWeight: 330.376643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=N3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=N3)F

InChI

InChI=1S/C18H20FN3O2/c1-24-17-6-5-14(12-15(17)19)13-21-8-10-22(11-9-21)18(23)16-4-2-3-7-20-16/h2-7,12H,8-11,13H2,1H3/p+1