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

Systemtic Name: 5-methyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1,2-oxazole-3-carboxamide Openeye Name: 5-methyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]isoxazole-3-carboxamide CAS Name: 5-methyl-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-3-isoxazolecarboxamide IUPAC Name: 5-methyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1,2-oxazole-3-carboxamide Traditional Name: 5-methyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]isoxazole-3-carboxamide Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=NO1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=N3

InChI

InChI=1S/C16H20N4O2/c1-12-9-15(19-22-12)16(21)18-14-6-4-8-20(11-14)10-13-5-2-3-7-17-13/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,18,21)/p+1/t14-/m0/s1