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(3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate

(3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name:(3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate
Openeye Name:(3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate
CAS Name:(3S)-1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxylate
IUPAC Name:(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate
Traditional Name:(3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate
Formula: C13H21N3O2
MolecularWeight: 251.32474
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H21N3O2/c1-3-16-10(2)12(7-14-16)9-15-6-4-5-11(8-15)13(17)18/h7,11H,3-6,8-9H2,1-2H3,(H,17,18)/t11-/m0/s1


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