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

Systemtic Name: (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C26H26N5OS+ MolecularWeight: 456.58254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C=CC3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)/C=C/C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N5OS/c32-25(30-16-14-29(15-17-30)23-10-12-27-13-11-23)9-8-22-20-31(19-21-5-2-1-3-6-21)28-26(22)24-7-4-18-33-24/h1-13,18,20H,14-17,19H2/p+1/b9-8+