3-(3,5-dimethoxyphenyl)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethoxyphenyl)-1-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(3,5-dimethoxyphenyl)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-1-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C23H30FN2O4+ MolecularWeight: 417.493703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)CCC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)CCC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C23H29FN2O4/c1-28-20-12-17(13-21(15-20)29-2)4-7-23(27)26-10-8-25(9-11-26)16-18-14-19(24)5-6-22(18)30-3/h5-6,12-15H,4,7-11,16H2,1-3H3/p+1