[1-(2-chlorophenyl)-3,5-diethyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(2-chlorophenyl)-3,5-diethyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(2-chlorophenyl)-3,5-diethyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(2-chlorophenyl)-3,5-diethyl-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(2-chlorophenyl)-3,5-diethyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C20H28ClN4O+ MolecularWeight: 375.91552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN4O/c1-4-16-19(20(26)24-13-11-23(6-3)12-14-24)17(5-2)25(22-16)18-10-8-7-9-15(18)21/h7-10H,4-6,11-14H2,1-3H3/p+1