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

Systemtic Name: [1-(2-chlorophenyl)-5-ethyl-3-propan-2-yl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(2-chlorophenyl)-5-ethyl-3-isopropyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(2-chlorophenyl)-5-ethyl-3-propan-2-yl-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(2-chlorophenyl)-5-ethyl-3-propan-2-ylpyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(2-chlorophenyl)-5-ethyl-3-isopropyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C21H30ClN4O+ MolecularWeight: 389.9421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4O/c1-5-17-19(21(27)25-13-11-24(6-2)12-14-25)20(15(3)4)23-26(17)18-10-8-7-9-16(18)22/h7-10,15H,5-6,11-14H2,1-4H3/p+1