1-[(2-chlorophenyl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-pyrazole-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-pyrazole-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-pyrazole-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-(4-methyl-1-piperazin-4-iumyl)-3-phenyl-4-pyrazolecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)-3-phenylpyrazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-pyrazole-4-carboxamide Formula: C22H25ClN5O+ MolecularWeight: 410.9198

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4Cl

InChI

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