3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]propan-1-one CAS Name: 3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]propan-1-one Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CCC(=O)N3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CCC(=O)N3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O/c1-19-8-10-20(11-9-19)24-21(18-28(25-24)22-6-4-3-5-7-22)12-13-23(29)27-16-14-26(2)15-17-27/h3-11,18H,12-17H2,1-2H3/p+1