(E)-3-(3-fluorophenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-fluorophenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3-fluorophenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(3-fluorophenyl)-1-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-fluorophenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(3-fluorophenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Formula: C21H23FNO2+ MolecularWeight: 340.411223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=CC=C2)F)C[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)F)C[NH+]3CCCC3

InChI

InChI=1S/C21H22FNO2/c1-25-21-10-8-17(14-18(21)15-23-11-2-3-12-23)20(24)9-7-16-5-4-6-19(22)13-16/h4-10,13-14H,2-3,11-12,15H2,1H3/p+1/b9-7+