N-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-yl]methanesulfonamide

Systemtic Name: N-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-yl]methanesulfonamide Openeye Name: N-[1-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-yl]methanesulfonamide CAS Name: N-[1-[(3-phenyl-5-isoxazolyl)methyl]-4-piperidin-1-iumyl]methanesulfonamide IUPAC Name: N-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-yl]methanesulfonamide Traditional Name: N-[1-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-yl]methanesulfonamide Formula: C16H22N3O3S+ MolecularWeight: 336.42918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1CC[NH+](CC1)CC2=CC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC1CC[NH+](CC1)CC2=CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C16H21N3O3S/c1-23(20,21)18-14-7-9-19(10-8-14)12-15-11-16(17-22-15)13-5-3-2-4-6-13/h2-6,11,14,18H,7-10,12H2,1H3/p+1