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

Systemtic Name: N-[[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-(2-benzofuranylmethyl)-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3O2)CNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3O2)CNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C24H25N3O3S/c28-31(29,23-11-3-8-19-9-4-12-25-24(19)23)26-15-18-6-5-13-27(16-18)17-21-14-20-7-1-2-10-22(20)30-21/h1-4,7-12,14,18,26H,5-6,13,15-17H2/p+1/t18-/m1/s1