[(3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Formula: C13H24N3O+ MolecularWeight: 238.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCCC(C2)CO

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC[C@@H](C2)CO

InChI

InChI=1S/C13H23N3O/c1-3-16-9-13(11(2)14-16)8-15-6-4-5-12(7-15)10-17/h9,12,17H,3-8,10H2,1-2H3/p+1/t12-/m0/s1