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

Systemtic Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-[(3-chlorophenyl)methyl]-3-pyrazolyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(3-chlorobenzyl)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:

C1CN(CC[NH+]1CC(=O)NC2=CC=NN2CC3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=NN2CC3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H24ClN5O/c23-19-6-4-5-18(15-19)16-28-21(9-10-24-28)25-22(29)17-26-11-13-27(14-12-26)20-7-2-1-3-8-20/h1-10,15H,11-14,16-17H2,(H,25,29)/p+1