1-[4-[(2R)-2-oxidanyl-3-(4-phenylmethoxyphenoxy)propyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(2R)-2-oxidanyl-3-(4-phenylmethoxyphenoxy)propyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(2R)-3-(4-benzyloxyphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2R)-2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(2R)-2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(2R)-3-(4-benzoxyphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]ethanone Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(COC2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)C[C@H](COC2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C22H28N2O4/c1-18(25)24-13-11-23(12-14-24)15-20(26)17-28-22-9-7-21(8-10-22)27-16-19-5-3-2-4-6-19/h2-10,20,26H,11-17H2,1H3/p+1/t20-/m1/s1