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

Systemtic Name: (2R)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol CAS Name: (2R)-1-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-3-(4-methoxyphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol Traditional Name: (2R)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol Formula: C21H28ClN2O3+ MolecularWeight: 391.91162

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=C(C=C3)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O3/c1-16-3-4-17(22)13-21(16)24-11-9-23(10-12-24)14-18(25)15-27-20-7-5-19(26-2)6-8-20/h3-8,13,18,25H,9-12,14-15H2,1-2H3/p+1/t18-/m1/s1