(3S)-1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2-fluorophenyl)methyl]-N-methyl-N-tetrahydropyran-4-yl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-N-methyl-N-(4-oxanyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-methyl-tetrahydropyran-4-yl-amine Formula: C18H28FN2O+ MolecularWeight: 307.426123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCOCC1)C2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CC2=CC=CC=C2F)C3CCOCC3

InChI

InChI=1S/C18H27FN2O/c1-20(16-8-11-22-12-9-16)17-6-4-10-21(14-17)13-15-5-2-3-7-18(15)19/h2-3,5,7,16-17H,4,6,8-14H2,1H3/p+1/t17-/m0/s1