2-[(2S)-1-cyclopentyl-4-[(3-fluorophenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[(3-fluorophenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[(3-fluorophenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[(3-fluorophenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[(3-fluorophenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-(3-fluorobenzyl)piperazin-1-ium-2-yl]ethanol Formula: C18H28FN2O+ MolecularWeight: 307.426123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2CCO)CC3=CC(=CC=C3)F

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H27FN2O/c19-16-5-3-4-15(12-16)13-20-9-10-21(17-6-1-2-7-17)18(14-20)8-11-22/h3-5,12,17-18,22H,1-2,6-11,13-14H2/p+1/t18-/m0/s1