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

Systemtic Name: (E)-3-(4-fluorophenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-fluorophenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-fluorophenyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-fluorophenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-fluorophenyl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C18H19FN3O+ MolecularWeight: 312.361363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3O/c19-16-4-1-15(2-5-16)3-6-18(23)22-13-11-21(12-14-22)17-7-9-20-10-8-17/h1-10H,11-14H2/p+1/b6-3+