1-[[(3R)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[(3R)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[(3R)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[(3R)-1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-3-piperidin-1-iumyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[(3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[(3R)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]-2-pyrrolidone Formula: C27H33N4O2+ MolecularWeight: 445.57652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCCC(C3)CN4CCCC4=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCC[C@@H](C3)CN4CCCC4=O)C5=CC=CC=C5

InChI

InChI=1S/C27H32N4O2/c1-33-25-12-5-9-22(16-25)27-23(20-31(28-27)24-10-3-2-4-11-24)19-29-14-6-8-21(17-29)18-30-15-7-13-26(30)32/h2-5,9-12,16,20-21H,6-8,13-15,17-19H2,1H3/p+1/t21-/m0/s1