methyl 6-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-methyl-carbamoyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-methyl-carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-methyl-carbamoyl]pyridine-3-carboxylate CAS Name: 6-[[[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-methylamino]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-methylcarbamoyl]pyridine-3-carboxylate Traditional Name: 6-[[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-methyl-carbamoyl]nicotinic acid methyl ester Formula: C21H25FN3O3+ MolecularWeight: 386.439903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O3/c1-24(20(26)19-10-9-15(12-23-19)21(27)28-2)17-7-5-11-25(14-17)13-16-6-3-4-8-18(16)22/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3/p+1/t17-/m0/s1