2-[(2S)-4-[(2-fluoranyl-5-methoxy-phenyl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-fluoranyl-5-methoxy-phenyl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-fluoro-5-methoxy-phenyl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(3-methylbut-2-enyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-fluoro-5-methoxy-benzyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Formula: C19H30FN2O2+ MolecularWeight: 337.452103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29FN2O2/c1-15(2)6-8-22-10-9-21(14-17(22)7-11-23)13-16-12-18(24-3)4-5-19(16)20/h4-6,12,17,23H,7-11,13-14H2,1-3H3/p+1/t17-/m0/s1