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

Systemtic Name: 2-[[(3S)-1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-3-yl]oxymethyl]pyridine Openeye Name: 2-[[(3S)-1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]oxymethyl]pyridine CAS Name: 2-[[(3S)-1-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-3-piperidin-1-iumyl]oxymethyl]pyridine IUPAC Name: 2-[[(3S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-1-ium-3-yl]oxymethyl]pyridine Traditional Name: 2-[[(3S)-1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]oxymethyl]pyridine Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCCC(C2)OCC3=CC=CC=N3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC[C@@H](C2)OCC3=CC=CC=N3

InChI

InChI=1S/C20H30N4O3S/c1-16(2)12-24-18(11-22-20(24)28(3,25)26)13-23-10-6-8-19(14-23)27-15-17-7-4-5-9-21-17/h4-5,7,9,11,16,19H,6,8,10,12-15H2,1-3H3/p+1/t19-/m0/s1