(E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)prop-2-en-1-one Formula: C28H28N5O+ MolecularWeight: 450.55482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O/c1-22-10-12-23(13-11-22)28-24(21-33(30-28)25-7-3-2-4-8-25)14-15-27(34)32-19-17-31(18-20-32)26-9-5-6-16-29-26/h2-16,21H,17-20H2,1H3/p+1/b15-14+