N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-(benzofurazan-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC3=NON=C32)CNS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC3=NON=C32)CNS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N4O3S/c25-28(26,15-16-6-2-1-3-7-16)21-12-17-8-5-11-24(13-17)14-18-9-4-10-19-20(18)23-27-22-19/h1-4,6-7,9-10,17,21H,5,8,11-15H2/p+1/t17-/m1/s1