(3R,4R)-1-[(5-methoxy-2-pyrazol-1-yl-phenyl)methyl]-4-morpholin-4-yl-piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(5-methoxy-2-pyrazol-1-yl-phenyl)methyl]-4-morpholin-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(5-methoxy-2-pyrazol-1-yl-phenyl)methyl]-4-morpholino-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[[5-methoxy-2-(1-pyrazolyl)phenyl]methyl]-4-(4-morpholinyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-morpholin-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(5-methoxy-2-pyrazol-1-yl-benzyl)-4-morpholino-piperidin-1-ium-3-ol Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCC(C(C3)O)N4CCOCC4

Isomeric SMILES

COC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CC[C@H]([C@@H](C3)O)N4CCOCC4

InChI

InChI=1S/C20H28N4O3/c1-26-17-3-4-18(24-7-2-6-21-24)16(13-17)14-22-8-5-19(20(25)15-22)23-9-11-27-12-10-23/h2-4,6-7,13,19-20,25H,5,8-12,14-15H2,1H3/p+1/t19-,20-/m1/s1