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

Systemtic Name: N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-(4-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=NC=C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NC=C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H24N4O2S/c26-28(27,20-7-1-5-19-6-2-10-23-21(19)20)24-14-18-4-3-13-25(16-18)15-17-8-11-22-12-9-17/h1-2,5-12,18,24H,3-4,13-16H2/p+1/t18-/m1/s1