(E)-1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-3-(2-thienyl)prop-2-en-1-one Formula: C19H22FN2O2S+ MolecularWeight: 361.453583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN2O2S/c1-24-18-6-4-15(13-17(18)20)14-21-8-10-22(11-9-21)19(23)7-5-16-3-2-12-25-16/h2-7,12-13H,8-11,14H2,1H3/p+1/b7-5+