(1S,2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol

Systemtic Name: (1S,2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol Openeye Name: (1S,2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]cyclohexanol CAS Name: (1S,2R)-2-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-1-cyclohexanol IUPAC Name: (1S,2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol Traditional Name: (1S,2R)-2-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]cyclohexanol Formula: C17H26FN2O+ MolecularWeight: 293.399543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N2CC[NH+](CC2)CC3=CC=CC=C3F)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)N2CC[NH+](CC2)CC3=CC=CC=C3F)O

InChI

InChI=1S/C17H25FN2O/c18-15-6-2-1-5-14(15)13-19-9-11-20(12-10-19)16-7-3-4-8-17(16)21/h1-2,5-6,16-17,21H,3-4,7-13H2/p+1/t16-,17+/m1/s1