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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCN(CC1CCO)CC2=CC(=CC=C2)F)C

Isomeric SMILES

CC(=CC[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=CC=C2)F)C

InChI

InChI=1S/C18H27FN2O/c1-15(2)6-8-21-10-9-20(14-18(21)7-11-22)13-16-4-3-5-17(19)12-16/h3-6,12,18,22H,7-11,13-14H2,1-2H3/p+1/t18-/m0/s1