N-cyclopropyl-2-[4-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C27H32N5O2+ MolecularWeight: 458.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H31N5O2/c1-19-8-11-23(20(2)16-19)26-24(17-32(29-26)22-6-4-3-5-7-22)27(34)31-14-12-30(13-15-31)18-25(33)28-21-9-10-21/h3-8,11,16-17,21H,9-10,12-15,18H2,1-2H3,(H,28,33)/p+1