(E)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-3-(2-thienyl)prop-2-en-1-one Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C=CC3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C20H24N2O3S/c1-24-17-4-6-18(7-5-17)25-15-14-21-10-12-22(13-11-21)20(23)9-8-19-3-2-16-26-19/h2-9,16H,10-15H2,1H3/p+1/b9-8+