2-[[(3R)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-3-yl]oxymethyl]pyridine

Systemtic Name: 2-[[(3R)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-3-yl]oxymethyl]pyridine Openeye Name: 2-[[(3R)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-3-yl]oxymethyl]pyridine CAS Name: 2-[[(3R)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-3-piperidin-1-iumyl]oxymethyl]pyridine IUPAC Name: 2-[[(3R)-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-1-ium-3-yl]oxymethyl]pyridine Traditional Name: 2-[[(3R)-1-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]oxymethyl]pyridine Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCCC(C2)OCC3=CC=CC=N3

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC[C@H](C2)OCC3=CC=CC=N3

InChI

InChI=1S/C20H30N4O4S/c1-27-12-6-11-24-18(13-22-20(24)29(2,25)26)14-23-10-5-8-19(15-23)28-16-17-7-3-4-9-21-17/h3-4,7,9,13,19H,5-6,8,10-12,14-16H2,1-2H3/p+1/t19-/m1/s1