N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)CNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)CNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C24H27N3O2S/c28-30(29,23-11-3-9-19-10-4-12-25-24(19)23)26-16-18-6-5-13-27(17-18)22-14-20-7-1-2-8-21(20)15-22/h1-4,7-12,18,22,26H,5-6,13-17H2/p+1/t18-/m1/s1