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

Systemtic Name: (E)-3-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3-fluoro-4-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3-fluoro-4-methoxy-phenyl)prop-2-en-1-one Formula: C21H24FN2O2+ MolecularWeight: 355.425863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O2/c1-26-20-9-7-17(15-19(20)22)8-10-21(25)24-13-11-23(12-14-24)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/p+1/b10-8+