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

Systemtic Name: N-[[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-(3-isoxazolylmethyl)-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NOC=C2)CNS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NOC=C2)CNS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H23N3O3S/c21-24(22,14-15-5-2-1-3-6-15)18-11-16-7-4-9-20(12-16)13-17-8-10-23-19-17/h1-3,5-6,8,10,16,18H,4,7,9,11-14H2/p+1/t16-/m1/s1