(3R,4R)-4-morpholin-4-ium-4-yl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-morpholin-4-ium-4-yl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(1-isopropylpyrazol-4-yl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-morpholin-4-iumyl)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-morpholin-4-ium-4-yl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(1-isopropylpyrazol-4-yl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Formula: C16H30N4O2+2 MolecularWeight: 310.435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCC(C(C2)O)[NH+]3CCOCC3

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCOCC3

InChI

InChI=1S/C16H28N4O2/c1-13(2)20-11-14(9-17-20)10-18-4-3-15(16(21)12-18)19-5-7-22-8-6-19/h9,11,13,15-16,21H,3-8,10,12H2,1-2H3/p+2/t15-,16-/m1/s1