N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-[(5-methyl-2-furanyl)methyl]-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCCC(C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H25N3O3S/c1-16-9-10-19(27-16)15-24-12-4-5-17(14-24)13-23-28(25,26)20-8-2-6-18-7-3-11-22-21(18)20/h2-3,6-11,17,23H,4-5,12-15H2,1H3/p+1/t17-/m1/s1