N-[[(3R)-1-(2,2-dimethylpropyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[(3R)-1-(2,2-dimethylpropyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3R)-1-(2,2-dimethylpropyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3R)-1-(2,2-dimethylpropyl)-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3R)-1-(2,2-dimethylpropyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3R)-1-neopentylpiperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C20H30N3O2S+ MolecularWeight: 376.5361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCCC(C1)CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)(C)C[NH+]1CCC[C@H](C1)CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C20H29N3O2S/c1-20(2,3)15-23-12-6-7-16(14-23)13-22-26(24,25)18-10-4-8-17-9-5-11-21-19(17)18/h4-5,8-11,16,22H,6-7,12-15H2,1-3H3/p+1/t16-/m0/s1