N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2,6-dimethoxy-N-methyl-pyridine-3-carboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2,6-dimethoxy-N-methyl-pyridine-3-carboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2,6-dimethoxy-N-methyl-pyridine-3-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-2,6-dimethoxy-N-methyl-3-pyridinecarboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2,6-dimethoxy-N-methylpyridine-3-carboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-2,6-dimethoxy-N-methyl-nicotinamide Formula: C21H27FN3O3+ MolecularWeight: 388.455783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O3/c1-24(21(26)17-10-11-19(27-2)23-20(17)28-3)16-8-6-12-25(14-16)13-15-7-4-5-9-18(15)22/h4-5,7,9-11,16H,6,8,12-14H2,1-3H3/p+1/t16-/m0/s1