2-[4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C20H25ClN5O2+ MolecularWeight: 402.8978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H24ClN5O2/c1-14-18(19(21)26(23-14)16-5-3-2-4-6-16)20(28)25-11-9-24(10-12-25)13-17(27)22-15-7-8-15/h2-6,15H,7-13H2,1H3,(H,22,27)/p+1