(2S)-1-(2,5-dimethylphenoxy)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(2,5-dimethylphenoxy)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol CAS Name: (2S)-1-(2,5-dimethylphenoxy)-3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol Formula: C28H35N2O2+ MolecularWeight: 431.5897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O2/c1-22-13-14-23(2)27(19-22)32-21-26(31)20-29-15-17-30(18-16-29)28(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-14,19,26,28,31H,15-18,20-21H2,1-2H3/p+1/t26-/m0/s1