(2R)-N-cyclohexyl-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-cyclohexyl-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-cyclohexyl-2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-cyclohexyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-cyclohexyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-cyclohexyl-2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-1-ium-1-yl]propionamide Formula: C21H33FN3O2+ MolecularWeight: 378.504023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H32FN3O2/c1-16(21(26)23-18-6-4-3-5-7-18)25-12-10-24(11-13-25)15-17-8-9-20(27-2)19(22)14-17/h8-9,14,16,18H,3-7,10-13,15H2,1-2H3,(H,23,26)/p+1/t16-/m1/s1