3-[(3R)-1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C24H35N4O+ MolecularWeight: 395.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=C(C=NN2)C[NH+]3CCCC(C3)CCC(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=C(C=NN2)C[NH+]3CCC[C@@H](C3)CCC(=O)N4CCCC4

InChI

InChI=1S/C24H34N4O/c1-18-7-8-19(2)22(14-18)24-21(15-25-26-24)17-27-11-5-6-20(16-27)9-10-23(29)28-12-3-4-13-28/h7-8,14-15,20H,3-6,9-13,16-17H2,1-2H3,(H,25,26)/p+1/t20-/m1/s1