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

Systemtic Name: [1-(4-chlorophenyl)-5-propyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(4-chlorophenyl)-5-propyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(4-chlorophenyl)-5-propyl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(4-chlorophenyl)-5-propyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H24ClN4O+ MolecularWeight: 347.86236

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H23ClN4O/c1-3-4-17-16(18(24)22-11-9-21(2)10-12-22)13-20-23(17)15-7-5-14(19)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3/p+1