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

Systemtic Name: 1-[4-[4-[(2R)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(2R)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2R)-2-hydroxy-3-phenoxypropyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(2R)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)C[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C21H26N2O3/c1-17(24)18-7-9-19(10-8-18)23-13-11-22(12-14-23)15-20(25)16-26-21-5-3-2-4-6-21/h2-10,20,25H,11-16H2,1H3/p+1/t20-/m1/s1