2-[4-[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]phenol Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3O)O

InChI

InChI=1S/C20H26N2O4/c1-25-17-6-8-18(9-7-17)26-15-16(23)14-21-10-12-22(13-11-21)19-4-2-3-5-20(19)24/h2-9,16,23-24H,10-15H2,1H3/p+1/t16-/m0/s1