(2S)-1-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: (2S)-1-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-3-phenoxy-propan-2-ol Openeye Name: (2S)-1-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-3-phenoxy-propan-2-ol CAS Name: (2S)-1-[4-[(4-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]-3-phenoxy-2-propanol IUPAC Name: (2S)-1-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-3-phenoxypropan-2-ol Traditional Name: (2S)-1-[4-(4-chlorobenzyl)piperazine-1,4-diium-1-yl]-3-phenoxy-propan-2-ol Formula: C20H27ClN2O2+2 MolecularWeight: 362.89358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)Cl)CC(COC3=CC=CC=C3)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)Cl)C[C@@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C20H25ClN2O2/c21-18-8-6-17(7-9-18)14-22-10-12-23(13-11-22)15-19(24)16-25-20-4-2-1-3-5-20/h1-9,19,24H,10-16H2/p+2/t19-/m0/s1