N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-pyridin-3-yl-propanamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-pyridin-3-yl-propanamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-(3-pyridyl)propanamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N-methyl-3-(3-pyridinyl)propanamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-pyridin-3-ylpropanamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N-methyl-3-(3-pyridyl)propionamide Formula: C21H27FN3O+ MolecularWeight: 356.456983

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)CCC3=CN=CC=C3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)CCC3=CN=CC=C3

InChI

InChI=1S/C21H26FN3O/c1-24(21(26)11-10-17-6-4-12-23-14-17)19-8-5-13-25(16-19)15-18-7-2-3-9-20(18)22/h2-4,6-7,9,12,14,19H,5,8,10-11,13,15-16H2,1H3/p+1/t19-/m0/s1