4-[4-(3-fluorophenyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride

Systemtic Name: 4-[4-(3-fluorophenyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride Openeye Name: 4-[4-(3-fluorophenyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride CAS Name: 4-[4-(3-fluorophenyl)-1-piperazin-1-iumyl]-1-(3,4,5-trimethoxyphenyl)-1-butanone chloride IUPAC Name: 4-[4-(3-fluorophenyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride Traditional Name: 4-[4-(3-fluorophenyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride Formula: C23H30ClFN2O4 MolecularWeight: 452.946703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CCC[NH+]2CCN(CC2)C3=CC(=CC=C3)F.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CCC[NH+]2CCN(CC2)C3=CC(=CC=C3)F.[Cl-]

InChI

InChI=1S/C23H29FN2O4.ClH/c1-28-21-14-17(15-22(29-2)23(21)30-3)20(27)8-5-9-25-10-12-26(13-11-25)19-7-4-6-18(24)16-19;/h4,6-7,14-16H,5,8-13H2,1-3H3;1H