[1-(3-chlorophenyl)-5-ethyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(3-chlorophenyl)-5-ethyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(3-chlorophenyl)-5-ethyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(3-chlorophenyl)-5-ethyl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(3-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=C2)Cl)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CC[NH+](CC3)C

InChI

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