(2R)-2-(2-fluoranylphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: (2R)-2-(2-fluoranylphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one CAS Name: (2R)-2-(2-fluorophenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one Formula: C21H26FN2O2+ MolecularWeight: 357.441743

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=CC=C3F

Isomeric SMILES

CC[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=CC=C3F

InChI

InChI=1S/C21H25FN2O2/c1-2-19(26-20-11-7-6-10-18(20)22)21(25)24-14-12-23(13-15-24)16-17-8-4-3-5-9-17/h3-11,19H,2,12-16H2,1H3/p+1/t19-/m1/s1