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

Systemtic Name: N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-[(E)-cinnamyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-[(E)-cinnamyl]piperidin-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)CC=CC2=CC=CC=C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2S/c28-30(29,23-14-4-12-22-13-5-15-25-24(22)23)26-18-21-11-7-17-27(19-21)16-6-10-20-8-2-1-3-9-20/h1-6,8-10,12-15,21,26H,7,11,16-19H2/p+1/b10-6+/t21-/m1/s1