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

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-methyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-methyl-isoxazole-3-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-5-methyl-3-isoxazolecarboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-5-methyl-isoxazole-3-carboxamide Formula: C17H21FN3O2+ MolecularWeight: 318.365943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=NO1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C17H20FN3O2/c1-12-9-16(20-23-12)17(22)19-14-6-4-8-21(11-14)10-13-5-2-3-7-15(13)18/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,19,22)/p+1/t14-/m0/s1