3-[[4-[(4-fluorophenyl)methyl]piperidin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole

Systemtic Name: 3-[[4-[(4-fluorophenyl)methyl]piperidin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-[(4-fluorophenyl)methyl]piperidin-1-ium-1-yl]methyl]-5-methyl-isoxazole CAS Name: 3-[[4-[(4-fluorophenyl)methyl]-1-piperidin-1-iumyl]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-[(4-fluorophenyl)methyl]piperidin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[4-(4-fluorobenzyl)piperidin-1-ium-1-yl]methyl]-5-methyl-isoxazole Formula: C17H22FN2O+ MolecularWeight: 289.367783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCC(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCC(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H21FN2O/c1-13-10-17(19-21-13)12-20-8-6-15(7-9-20)11-14-2-4-16(18)5-3-14/h2-5,10,15H,6-9,11-12H2,1H3/p+1