[1-(2-chlorophenyl)-5-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(2-chlorophenyl)-5-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(2-chlorophenyl)-5-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(2-chlorophenyl)-5-propyl-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(2-chlorophenyl)-5-propylpyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(2-chlorophenyl)-5-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C19H26ClN4O+ MolecularWeight: 361.88894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2Cl)C(=O)N3CC[NH+](CC3)CC

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2Cl)C(=O)N3CC[NH+](CC3)CC

InChI

InChI=1S/C19H25ClN4O/c1-3-7-17-15(19(25)23-12-10-22(4-2)11-13-23)14-21-24(17)18-9-6-5-8-16(18)20/h5-6,8-9,14H,3-4,7,10-13H2,1-2H3/p+1