1-cyclohexyl-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 1-cyclohexyl-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 1-cyclohexyl-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 1-cyclohexyl-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-piperazin-4-iumone IUPAC Name: 1-cyclohexyl-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 1-cyclohexyl-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(C(=O)C3)C4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(C(=O)C3)C4CCCCC4)C

InChI

InChI=1S/C22H30N4O/c1-16-8-9-18(12-17(16)2)22-19(13-23-24-22)14-25-10-11-26(21(27)15-25)20-6-4-3-5-7-20/h8-9,12-13,20H,3-7,10-11,14-15H2,1-2H3,(H,23,24)/p+1