(2R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@@H](CN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H32N2O2/c1-22-9-8-14-26(19-22)31-21-25(30)20-28-15-17-29(18-16-28)27(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-14,19,25,27,30H,15-18,20-21H2,1H3/p+1/t25-/m1/s1