2-[4-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C26H34N5O+ MolecularWeight: 432.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CN4CC[NH+](CC4)CC(=O)N(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CN4CC[NH+](CC4)CC(=O)N(C)C

InChI

InChI=1S/C26H33N5O/c1-20-10-11-21(2)24(16-20)31-18-23(26(27-31)22-8-6-5-7-9-22)17-29-12-14-30(15-13-29)19-25(32)28(3)4/h5-11,16,18H,12-15,17,19H2,1-4H3/p+1