[1-(2-chlorophenyl)-5-ethyl-3-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(2-chlorophenyl)-5-ethyl-3-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(2-chlorophenyl)-5-ethyl-3-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(2-chlorophenyl)-5-ethyl-3-methyl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(2-chlorophenyl)-5-ethyl-3-methylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(2-chlorophenyl)-5-ethyl-3-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H24ClN4O+ MolecularWeight: 347.86236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4O/c1-4-15-17(18(24)22-11-9-21(3)10-12-22)13(2)20-23(15)16-8-6-5-7-14(16)19/h5-8H,4,9-12H2,1-3H3/p+1