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

Systemtic Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1-propan-2-yl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-fluorobenzyl)-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C21H35FN3O+ MolecularWeight: 364.520503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(C(C2)CCO)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN([C@H](C2)CCO)CC3=CC=C(C=C3)F

InChI

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