(1S)-2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1S)-2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-1-phenylethanol IUPAC Name: (1S)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-1-phenylethanol Traditional Name: (1S)-2-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-1-phenyl-ethanol Formula: C19H23ClFN2O+ MolecularWeight: 349.850123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)CC(C3=CC=CC=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C19H22ClFN2O/c20-17-7-4-8-18(21)16(17)13-22-9-11-23(12-10-22)14-19(24)15-5-2-1-3-6-15/h1-8,19,24H,9-14H2/p+1/t19-/m1/s1