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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C=CC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)/C=C/C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O/c34-27(32-19-17-31(18-20-32)26-13-15-29-16-14-26)12-11-25-22-33(21-23-7-3-1-4-8-23)30-28(25)24-9-5-2-6-10-24/h1-16,22H,17-21H2/p+1/b12-11+