1-[4-[(2S)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(2S)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-phenoxypropyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]ethanone Formula: C15H23N2O3+ MolecularWeight: 279.35472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-13(18)17-9-7-16(8-10-17)11-14(19)12-20-15-5-3-2-4-6-15/h2-6,14,19H,7-12H2,1H3/p+1/t14-/m0/s1