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

Systemtic Name: (E)-3-[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[3-(3-chlorophenyl)-1-phenyl-4-pyrazolyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)prop-2-en-1-one Formula: C27H25ClN5O+ MolecularWeight: 470.9733

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C=CC3=CN(N=C3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)/C=C/C3=CN(N=C3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H24ClN5O/c28-23-8-6-7-21(19-23)27-22(20-33(30-27)24-9-2-1-3-10-24)12-13-26(34)32-17-15-31(16-18-32)25-11-4-5-14-29-25/h1-14,19-20H,15-18H2/p+1/b13-12+