4-[2,5-dimethyl-3-[2-[(3R)-3-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-[(3R)-3-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-[(3R)-3-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-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2,5-dimethyl-3-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2,5-dimethyl-3-[2-[(3R)-3-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:

CC1CCC[NH+](C1)CC(=O)C2=C(N(C(=C2)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)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/c1-17-10-9-13-27(15-17)16-23(30)22-14-18(2)28(19(22)3)24-20(4)26(5)29(25(24)31)21-11-7-6-8-12-21/h6-8,11-12,14,17H,9-10,13,15-16H2,1-5H3/p+1/t17-/m1/s1