N-[[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCCC(C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H26N4O2S/c1-17-6-2-10-20(25-17)16-26-13-5-7-18(15-26)14-24-29(27,28)21-11-3-8-19-9-4-12-23-22(19)21/h2-4,6,8-12,18,24H,5,7,13-16H2,1H3/p+1/t18-/m1/s1