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

Systemtic Name: [1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(4-chlorophenyl)-5-methyl-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C17H22ClN4O+ MolecularWeight: 333.83578

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C

InChI

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