(2S)-1-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-3-(3-methylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-3-(3-methylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-benzhydrylpiperazine-1,4-diium-1-yl)-3-(3-methylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-3-(3-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-benzhydrylpiperazine-1,4-diium-1-yl)-3-(3-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzhydrylpiperazine-1,4-diium-1-yl)-3-(3-methylphenoxy)propan-2-ol Formula: C27H34N2O2+2 MolecularWeight: 418.57106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[NH+]2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](C[NH+]2CC[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+2/t25-/m0/s1