4-(4-fluorophenyl)-1-[(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]butan-1-one

Systemtic Name: 4-(4-fluorophenyl)-1-[(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]butan-1-one Openeye Name: 4-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)-1-piperidyl]butan-1-one CAS Name: 4-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazin-4-iumyl)-1-piperidinyl]-1-butanone IUPAC Name: 4-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-yl]butan-1-one Traditional Name: 4-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidino]butan-1-one Formula: C20H31FN3O2+ MolecularWeight: 364.477443

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2O)C(=O)CCCC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CCN(C[C@H]2O)C(=O)CCCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H30FN3O2/c1-22-11-13-23(14-12-22)18-9-10-24(15-19(18)25)20(26)4-2-3-16-5-7-17(21)8-6-16/h5-8,18-19,25H,2-4,9-15H2,1H3/p+1/t18-,19-/m1/s1