[1-(2-chlorophenyl)-5-ethyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(2-chlorophenyl)-5-ethyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(2-chlorophenyl)-5-ethyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(2-chlorophenyl)-5-ethyl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(2-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(2-chlorophenyl)-5-ethyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C17H22ClN4O+ MolecularWeight: 333.83578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=CC=C2Cl)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=C(C=NN1C2=CC=CC=C2Cl)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H21ClN4O/c1-3-15-13(17(23)21-10-8-20(2)9-11-21)12-19-22(15)16-7-5-4-6-14(16)18/h4-7,12H,3,8-11H2,1-2H3/p+1