2-[4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C25H38N5O+ MolecularWeight: 424.60212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)CN4CC[NH+](CC4)CC(=O)N(C)C

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)CN4CC[NH+](CC4)CC(=O)N(C)C

InChI

InChI=1S/C25H37N5O/c1-27(2)24(31)19-30-15-13-29(14-16-30)18-23-17-28(3)26-25(23)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h9-12,17,20H,4-8,13-16,18-19H2,1-3H3/p+1