4-[[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[(3R,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

InChI

InChI=1S/C19H27N3O/c1-14-10-15(2)12-21(11-14)13-18-16(3)20(4)22(19(18)23)17-8-6-5-7-9-17/h5-9,14-15H,10-13H2,1-4H3/p+1/t14-,15+