(3-fluoranyl-4-methoxy-phenyl)-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-fluoro-4-methoxy-phenyl)-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-fluoro-4-methoxyphenyl)-[(3R)-1-(1H-imidazol-2-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-fluoro-4-methoxyphenyl)-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-fluoro-4-methoxy-phenyl)-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C17H21FN3O2+ MolecularWeight: 318.365943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=NC=CN3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@@H]2CCC[NH+](C2)CC3=NC=CN3)F

InChI

InChI=1S/C17H20FN3O2/c1-23-15-5-4-12(9-14(15)18)17(22)13-3-2-8-21(10-13)11-16-19-6-7-20-16/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,19,20)/p+1/t13-/m1/s1