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

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride CAS Name: 4-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-(3,4,5-trimethoxyphenyl)-1-butanone chloride IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride Traditional Name: 4-[4-(4-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=C(C=C3)F.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN2O4.ClH/c1-28-21-15-17(16-22(29-2)23(21)30-3)20(27)5-4-10-25-11-13-26(14-12-25)19-8-6-18(24)7-9-19;/h6-9,15-16H,4-5,10-14H2,1-3H3;1H