(2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-nitrophenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-nitrophenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-nitrophenoxy)propan-2-ol CAS Name: (2R)-1-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-3-(2-nitrophenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-nitrophenoxy)propan-2-ol Traditional Name: (2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-nitrophenoxy)propan-2-ol Formula: C20H26N3O5+ MolecularWeight: 388.43754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(COC3=CC=CC=C3[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)C[C@H](COC3=CC=CC=C3[N+](=O)[O-])O

InChI

InChI=1S/C20H25N3O5/c1-27-18-8-6-16(7-9-18)22-12-10-21(11-13-22)14-17(24)15-28-20-5-3-2-4-19(20)23(25)26/h2-9,17,24H,10-15H2,1H3/p+1/t17-/m1/s1