(2R)-1-[4-(4-ethylphenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(4-ethylphenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(4-ethylphenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol CAS Name: (2R)-1-[4-(4-ethylphenyl)-1-piperazin-1-iumyl]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(4-ethylphenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Traditional Name: (2R)-1-[4-(4-ethylphenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Formula: C27H33N2O2+ MolecularWeight: 417.56312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=CC=C(C=C1)N2CC[NH+](CC2)C[C@H](COC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H32N2O2/c1-2-22-8-12-25(13-9-22)29-18-16-28(17-19-29)20-26(30)21-31-27-14-10-24(11-15-27)23-6-4-3-5-7-23/h3-15,26,30H,2,16-21H2,1H3/p+1/t26-/m1/s1