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

Systemtic Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)ethanoyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2,5-dimethyl-3-[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

InChI

InChI=1S/C25H32N4O2/c1-17-11-13-27(14-12-17)16-23(30)22-15-18(2)28(19(22)3)24-20(4)26(5)29(25(24)31)21-9-7-6-8-10-21/h6-10,15,17H,11-14,16H2,1-5H3/p+1