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

Systemtic Name: 1,5-dimethyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-phenyl-3-pyrazolin-3-one Formula: C18H26N3O+ MolecularWeight: 300.41854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O/c1-14-8-7-11-20(12-14)13-17-15(2)19(3)21(18(17)22)16-9-5-4-6-10-16/h4-6,9-10,14H,7-8,11-13H2,1-3H3/p+1/t14-/m0/s1