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

Systemtic Name: (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)prop-2-en-1-one Formula: C25H24N5OS+ MolecularWeight: 442.55596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)/C=C/C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5OS/c31-24(29-16-14-28(15-17-29)23-10-4-5-13-26-23)12-11-20-19-30(21-7-2-1-3-8-21)27-25(20)22-9-6-18-32-22/h1-13,18-19H,14-17H2/p+1/b12-11+