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

Systemtic Name: (3R,4R)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-4-morpholin-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-4-morpholino-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[[2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl]-4-(4-morpholinyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-morpholin-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(2,4-dimethyl-6-pyrazol-1-yl-benzyl)-4-morpholino-piperidin-1-ium-3-ol Formula: C21H31N4O2+ MolecularWeight: 371.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2C=CC=N2)C[NH+]3CCC(C(C3)O)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N2C=CC=N2)C[NH+]3CC[C@H]([C@@H](C3)O)N4CCOCC4)C

InChI

InChI=1S/C21H30N4O2/c1-16-12-17(2)18(20(13-16)25-6-3-5-22-25)14-23-7-4-19(21(26)15-23)24-8-10-27-11-9-24/h3,5-6,12-13,19,21,26H,4,7-11,14-15H2,1-2H3/p+1/t19-,21-/m1/s1