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

Systemtic Name: [1-(2-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(2-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(2-chlorophenyl)-3,5-dimethyl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(2-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C17H22ClN4O+ MolecularWeight: 333.83578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2Cl)C)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2Cl)C)C(=O)N3CC[NH+](CC3)C

InChI

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