(E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-diphenyl-4-pyrazolyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)prop-2-en-1-one Formula: C27H26N5O+ MolecularWeight: 436.52824

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O/c33-26(31-19-17-30(18-20-31)25-13-7-8-16-28-25)15-14-23-21-32(24-11-5-2-6-12-24)29-27(23)22-9-3-1-4-10-22/h1-16,21H,17-20H2/p+1/b15-14+