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

Systemtic Name: [4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-(2-furyl)methanone CAS Name: [4-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]-(2-furanyl)methanone IUPAC Name: [4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-(2-furyl)methanone Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C26H32N4O2/c1-28-18-23(19-29-13-15-30(16-14-29)26(31)24-8-5-17-32-24)25(27-28)22-11-9-21(10-12-22)20-6-3-2-4-7-20/h5,8-12,17-18,20H,2-4,6-7,13-16,19H2,1H3/p+1