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

Systemtic Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1-phenethylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1-phenethyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1-phenethyl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1-phenethylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-fluorobenzyl)-4-(1-phenethyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C26H37FN3O+ MolecularWeight: 426.589883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCN(C(C2)CCO)CC3=CC=C(C=C3)F)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH+]2CCN([C@H](C2)CCO)CC3=CC=C(C=C3)F)CCC4=CC=CC=C4

InChI

InChI=1S/C26H36FN3O/c27-24-8-6-23(7-9-24)20-29-17-18-30(21-26(29)13-19-31)25-11-15-28(16-12-25)14-10-22-4-2-1-3-5-22/h1-9,25-26,31H,10-21H2/p+1/t26-/m0/s1