N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-propyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-propyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-propyl-isoxazole-3-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-5-propyl-3-isoxazolecarboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-propyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-5-propyl-isoxazole-3-carboxamide Formula: C19H25FN3O2+ MolecularWeight: 346.419103

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NO1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CCCC1=CC(=NO1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C19H24FN3O2/c1-2-6-16-11-18(22-25-16)19(24)21-15-8-5-10-23(13-15)12-14-7-3-4-9-17(14)20/h3-4,7,9,11,15H,2,5-6,8,10,12-13H2,1H3,(H,21,24)/p+1/t15-/m0/s1