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

Systemtic Name: 4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-1-cyclopentyl-piperazin-4-ium-2-one Openeye Name: 4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-1-cyclopentyl-piperazin-4-ium-2-one CAS Name: 4-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-1-cyclopentyl-2-piperazin-4-iumone IUPAC Name: 4-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-cyclopentylpiperazin-4-ium-2-one Traditional Name: 4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-1-cyclopentyl-piperazin-4-ium-2-one Formula: C20H26ClN4O+ MolecularWeight: 373.89964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCN(C(=O)C3)C4CCCC4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCN(C(=O)C3)C4CCCC4

InChI

InChI=1S/C20H25ClN4O/c1-23-12-16(20(22-23)15-5-4-6-17(21)11-15)13-24-9-10-25(19(26)14-24)18-7-2-3-8-18/h4-6,11-12,18H,2-3,7-10,13-14H2,1H3/p+1