N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-(benzofurazan-4-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C22H24N5O3S+ MolecularWeight: 438.52266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC3=NON=C32)CNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC3=NON=C32)CNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C22H23N5O3S/c28-31(29,20-10-2-6-17-8-3-11-23-22(17)20)24-13-16-5-4-12-27(14-16)15-18-7-1-9-19-21(18)26-30-25-19/h1-3,6-11,16,24H,4-5,12-15H2/p+1/t16-/m1/s1