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

Systemtic Name: (E)-3-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-fluoro-4-methoxyphenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]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=CC(=O)N2CC[NH+](CC2)CC3=CSC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CSC=C3)F

InChI

InChI=1S/C19H21FN2O2S/c1-24-18-4-2-15(12-17(18)20)3-5-19(23)22-9-7-21(8-10-22)13-16-6-11-25-14-16/h2-6,11-12,14H,7-10,13H2,1H3/p+1/b5-3+