(3R,4R)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-3-ol

Systemtic Name: (3R,4R)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-3-ol Openeye Name: (3R,4R)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-3-ol CAS Name: (3R,4R)-1-[[2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl]-4-(4-hydroxy-1-piperidin-1-iumyl)-3-piperidinol IUPAC Name: (3R,4R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-3-ol Traditional Name: (3R,4R)-1-(2,4-dimethyl-6-pyrazol-1-yl-benzyl)-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-3-ol Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2C=CC=N2)CN3CCC(C(C3)O)[NH+]4CCC(CC4)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N2C=CC=N2)CN3CC[C@H]([C@@H](C3)O)[NH+]4CCC(CC4)O)C

InChI

InChI=1S/C22H32N4O2/c1-16-12-17(2)19(21(13-16)26-8-3-7-23-26)14-24-9-6-20(22(28)15-24)25-10-4-18(27)5-11-25/h3,7-8,12-13,18,20,22,27-28H,4-6,9-11,14-15H2,1-2H3/p+1/t20-,22-/m1/s1