(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-phenoxy-butan-1-one

Systemtic Name: (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-phenoxy-butan-1-one Openeye Name: (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-phenoxy-butan-1-one CAS Name: (2R)-1-(4-ethyl-1-piperazin-4-iumyl)-2-phenoxy-1-butanone IUPAC Name: (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-phenoxybutan-1-one Traditional Name: (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-phenoxy-butan-1-one Formula: C16H25N2O2+ MolecularWeight: 277.3819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[NH+](CC1)CC)OC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)N1CC[NH+](CC1)CC)OC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O2/c1-3-15(20-14-8-6-5-7-9-14)16(19)18-12-10-17(4-2)11-13-18/h5-9,15H,3-4,10-13H2,1-2H3/p+1/t15-/m1/s1