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

Systemtic Name: (2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol CAS Name: (2R)-1-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Traditional Name: (2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)C[C@H](COC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H30N2O3/c1-30-25-13-9-23(10-14-25)28-17-15-27(16-18-28)19-24(29)20-31-26-11-7-22(8-12-26)21-5-3-2-4-6-21/h2-14,24,29H,15-20H2,1H3/p+1/t24-/m1/s1