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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

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