(2R)-1-(4-ethylphenoxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(4-ethylphenoxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-ethylphenoxy)propan-2-ol CAS Name: (2R)-1-(4-ethylphenoxy)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-ethylphenoxy)propan-2-ol Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-ethylphenoxy)propan-2-ol Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@@H](CN2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H30N2O2/c1-2-19-8-10-22(11-9-19)26-18-21(25)17-24-14-12-23(13-15-24)16-20-6-4-3-5-7-20/h3-11,21,25H,2,12-18H2,1H3/p+1/t21-/m1/s1