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

Systemtic Name: N-[[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-[(2-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-salicylpiperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2O)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2O)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H25N3O3S/c26-20-10-2-1-7-19(20)16-25-13-5-6-17(15-25)14-24-29(27,28)21-11-3-8-18-9-4-12-23-22(18)21/h1-4,7-12,17,24,26H,5-6,13-16H2/p+1/t17-/m1/s1