2-[(2S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-2-piperidin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol Formula: C15H28N3O+ MolecularWeight: 266.40232

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCCCC2CCO)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCCC[C@H]2CCO)C

InChI

InChI=1S/C15H27N3O/c1-4-18-13(3)15(12(2)16-18)11-17-9-6-5-7-14(17)8-10-19/h14,19H,4-11H2,1-3H3/p+1/t14-/m0/s1