(3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCCC(C3)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCC[C@@H](C3)O

InChI

InChI=1S/C16H21N3O2/c1-21-15-6-4-12(5-7-15)16-13(9-17-18-16)10-19-8-2-3-14(20)11-19/h4-7,9,14,20H,2-3,8,10-11H2,1H3,(H,17,18)/p+1/t14-/m0/s1