5-methyl-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-methyl-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-methyl-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]isoxazole-3-carboxamide CAS Name: 5-methyl-N-[[(3R)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-methyl-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-methyl-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]isoxazole-3-carboxamide Formula: C17H26N5O2+ MolecularWeight: 332.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NCC2CCC[NH+](C2)CCCN3C=CC=N3

Isomeric SMILES

CC1=CC(=NO1)C(=O)NC[C@H]2CCC[NH+](C2)CCCN3C=CC=N3

InChI

InChI=1S/C17H25N5O2/c1-14-11-16(20-24-14)17(23)18-12-15-5-2-7-21(13-15)8-4-10-22-9-3-6-19-22/h3,6,9,11,15H,2,4-5,7-8,10,12-13H2,1H3,(H,18,23)/p+1/t15-/m1/s1