1-(3,5-dimethylpyrazol-1-yl)-3-piperidin-1-ium-1-yl-propan-1-one

Systemtic Name: 1-(3,5-dimethylpyrazol-1-yl)-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: 1-(3,5-dimethylpyrazol-1-yl)-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: 1-(3,5-dimethyl-1-pyrazolyl)-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: 1-(3,5-dimethylpyrazol-1-yl)-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: 1-(3,5-dimethylpyrazol-1-yl)-3-piperidin-1-ium-1-yl-propan-1-one Formula: C13H22N3O+ MolecularWeight: 236.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CC[NH+]2CCCCC2)C

Isomeric SMILES

CC1=CC(=NN1C(=O)CC[NH+]2CCCCC2)C

InChI

InChI=1S/C13H21N3O/c1-11-10-12(2)16(14-11)13(17)6-9-15-7-4-3-5-8-15/h10H,3-9H2,1-2H3/p+1