4-[(2R)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[(2R)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[(1R)-2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[(2R)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[(2R)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[(1R)-2-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-2-keto-1-methyl-ethoxy]benzonitrile Formula: C22H25FN3O3+ MolecularWeight: 398.450603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)F)OC)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)F)OC)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24FN3O3/c1-16(29-20-6-3-17(14-24)4-7-20)22(27)26-11-9-25(10-12-26)15-18-13-19(23)5-8-21(18)28-2/h3-8,13,16H,9-12,15H2,1-2H3/p+1/t16-/m1/s1