4-[[(2S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-2-yl]methyl]morpholine

Systemtic Name: 4-[[(2S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-2-yl]methyl]morpholine Openeye Name: 4-[[(2S)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-2-yl]methyl]morpholine CAS Name: 4-[[(2S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-2-piperidin-1-iumyl]methyl]morpholine IUPAC Name: 4-[[(2S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-2-yl]methyl]morpholine Traditional Name: 4-[[(2S)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-2-yl]methyl]morpholine Formula: C17H31N4O+ MolecularWeight: 307.45424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)C[NH+]2CCCCC2CN3CCOCC3

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+]2CCCC[C@H]2CN3CCOCC3

InChI

InChI=1S/C17H30N4O/c1-14(2)17-11-15(18-19-17)12-21-6-4-3-5-16(21)13-20-7-9-22-10-8-20/h11,14,16H,3-10,12-13H2,1-2H3,(H,18,19)/p+1/t16-/m0/s1