N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-(4-chlorophenyl)-2-methyl-3-pyrazolyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C22H25ClN5O+ MolecularWeight: 410.9198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24ClN5O/c1-26-21(15-20(25-26)17-7-9-18(23)10-8-17)24-22(29)16-27-11-13-28(14-12-27)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3,(H,24,29)/p+1