(E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2/c1-26-14-16-27(17-15-26)23(29)13-10-20-18-28(21-6-4-3-5-7-21)25-24(20)19-8-11-22(30-2)12-9-19/h3-13,18H,14-17H2,1-2H3/p+1/b13-10+