2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1-propylpiperidin-1-ium-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1-propylpiperidin-1-ium-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1-propylpiperidin-1-ium-4-yl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1-propyl-4-piperidin-1-iumyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1-propylpiperidin-1-ium-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-fluorobenzyl)-4-(1-propylpiperidin-1-ium-4-yl)piperazin-1-ium-2-yl]ethanol Formula: C21H36FN3O+2 MolecularWeight: 365.528443

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)N2CC[NH+](C(C2)CCO)CC3=CC=C(C=C3)F

Isomeric SMILES

CCC[NH+]1CCC(CC1)N2CC[NH+]([C@H](C2)CCO)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H34FN3O/c1-2-10-23-11-7-20(8-12-23)25-14-13-24(21(17-25)9-15-26)16-18-3-5-19(22)6-4-18/h3-6,20-21,26H,2,7-17H2,1H3/p+2/t21-/m0/s1