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

Systemtic Name: [1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(3-chlorophenyl)-5-isopropyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(3-chlorophenyl)-5-propan-2-yl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(3-chlorophenyl)-5-isopropyl-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:

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H23ClN4O/c1-13(2)17-16(18(24)22-9-7-21(3)8-10-22)12-20-23(17)15-6-4-5-14(19)11-15/h4-6,11-13H,7-10H2,1-3H3/p+1