3-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-[[3-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-[3-(3,5-dimethylpyrazol-1-yl)benzyl]piperidin-1-ium-4-yl]-1-pyrrolidino-propan-1-one Formula: C24H35N4O+ MolecularWeight: 395.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC(=C2)C[NH+]3CCC(CC3)CCC(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC(=C2)C[NH+]3CCC(CC3)CCC(=O)N4CCCC4)C

InChI

InChI=1S/C24H34N4O/c1-19-16-20(2)28(25-19)23-7-5-6-22(17-23)18-26-14-10-21(11-15-26)8-9-24(29)27-12-3-4-13-27/h5-7,16-17,21H,3-4,8-15,18H2,1-2H3/p+1