2-[(2S)-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-chloro-4-fluoro-phenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-chloro-4-fluorophenyl)methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-chloro-4-fluoro-benzyl)-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C14H21ClFN2O+ MolecularWeight: 287.780743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClFN2O/c1-17-5-6-18(10-13(17)4-7-19)9-11-2-3-12(16)8-14(11)15/h2-3,8,13,19H,4-7,9-10H2,1H3/p+1/t13-/m0/s1