(2R)-1-[4-(phenylmethyl)piperidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(phenylmethyl)piperidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Openeye Name: (2R)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol CAS Name: (2R)-1-[4-(phenylmethyl)-1-piperidin-1-iumyl]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: (2R)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol Traditional Name: (2R)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol Formula: C27H32NO2+ MolecularWeight: 402.54848

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)C[C@H](COC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H31NO2/c29-26(20-28-17-15-23(16-18-28)19-22-7-3-1-4-8-22)21-30-27-13-11-25(12-14-27)24-9-5-2-6-10-24/h1-14,23,26,29H,15-21H2/p+1/t26-/m1/s1