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

Systemtic Name: (3R,4R)-4-morpholin-4-yl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-morpholino-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-morpholinyl)-1-[[4-(1-pyrazolylmethyl)phenyl]methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-morpholin-4-yl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-morpholino-1-[4-(pyrazol-1-ylmethyl)benzyl]piperidin-1-ium-3-ol Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1N2CCOCC2)O)CC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1N2CCOCC2)O)CC3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C20H28N4O2/c25-20-16-22(9-6-19(20)23-10-12-26-13-11-23)14-17-2-4-18(5-3-17)15-24-8-1-7-21-24/h1-5,7-8,19-20,25H,6,9-16H2/p+1/t19-,20-/m1/s1