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

Systemtic Name: N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H24N4O2S/c26-28(27,20-10-3-7-18-8-4-12-23-21(18)20)24-14-17-6-5-13-25(15-17)16-19-9-1-2-11-22-19/h1-4,7-12,17,24H,5-6,13-16H2/p+1/t17-/m1/s1