N-[[(3S)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[(3S)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-[(5-acetyl-3-thiophenyl)methyl]-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C22H26N3O3S2+ MolecularWeight: 444.59014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCC(C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H25N3O3S2/c1-16(26)20-11-18(15-29-20)14-25-10-4-5-17(13-25)12-24-30(27,28)21-8-2-6-19-7-3-9-23-22(19)21/h2-3,6-9,11,15,17,24H,4-5,10,12-14H2,1H3/p+1/t17-/m1/s1