N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide

Systemtic Name: N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide Openeye Name: N-[[(3R)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide CAS Name: N-[[(3R)-1-(3-isoxazolylmethyl)-3-piperidin-1-iumyl]methyl]-3-phenylpropanamide IUPAC Name: N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-phenylpropanamide Traditional Name: N-[[(3R)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-phenyl-propionamide Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NOC=C2)CNC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NOC=C2)CNC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O2/c23-19(9-8-16-5-2-1-3-6-16)20-13-17-7-4-11-22(14-17)15-18-10-12-24-21-18/h1-3,5-6,10,12,17H,4,7-9,11,13-15H2,(H,20,23)/p+1/t17-/m1/s1