4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCNC(=O)C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCNC(=O)C4

InChI

InChI=1S/C21H28N4O/c1-24-13-19(14-25-12-11-22-20(26)15-25)21(23-24)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12,14-15H2,1H3,(H,22,26)/p+1