(2R)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: (2R)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-phenoxy-propan-2-ol Openeye Name: (2R)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-phenoxy-propan-2-ol CAS Name: (2R)-1-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-3-phenoxy-2-propanol IUPAC Name: (2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-3-phenoxypropan-2-ol Traditional Name: (2R)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-phenoxy-propan-2-ol Formula: C20H26ClN2O2+ MolecularWeight: 361.88564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C20H25ClN2O2/c1-16-7-8-17(21)13-20(16)23-11-9-22(10-12-23)14-18(24)15-25-19-5-3-2-4-6-19/h2-8,13,18,24H,9-12,14-15H2,1H3/p+1/t18-/m1/s1