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

Systemtic Name: 5-methyl-N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]-5-methyl-isoxazole-3-carboxamide CAS Name: N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-5-methyl-3-isoxazolecarboxamide IUPAC Name: N-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]-5-methyl-isoxazole-3-carboxamide Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NCC2=C([NH+]=CC=C2)N3CCCC(C3)O

Isomeric SMILES

CC1=CC(=NO1)C(=O)NCC2=C([NH+]=CC=C2)N3CCC[C@@H](C3)O

InChI

InChI=1S/C16H20N4O3/c1-11-8-14(19-23-11)16(22)18-9-12-4-2-6-17-15(12)20-7-3-5-13(21)10-20/h2,4,6,8,13,21H,3,5,7,9-10H2,1H3,(H,18,22)/p+1/t13-/m0/s1