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

Systemtic Name: 2-[4-[[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[3-(3-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C25H29ClN5O+ MolecularWeight: 450.98366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=CN(N=C3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=CN(N=C3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H28ClN5O/c26-21-6-4-5-19(15-21)25-20(17-31(28-25)23-7-2-1-3-8-23)16-29-11-13-30(14-12-29)18-24(32)27-22-9-10-22/h1-8,15,17,22H,9-14,16,18H2,(H,27,32)/p+1