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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O2/c1-22-12-14-26(15-13-22)31-21-25(30)20-28-16-18-29(19-17-28)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25,27,30H,16-21H2,1H3/p+1/t25-/m0/s1