(2R)-1-[2-(4-bromanylphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-[2-(4-bromanylphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[2-(4-bromophenoxy)ethoxy]-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C20H28BrN3O3+2 MolecularWeight: 438.35862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCCOC2=CC=C(C=C2)Br)O)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COCCOC2=CC=C(C=C2)Br)O)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H26BrN3O3/c21-17-4-6-19(7-5-17)27-14-13-26-16-18(25)15-23-9-11-24(12-10-23)20-3-1-2-8-22-20/h1-8,18,25H,9-16H2/p+2/t18-/m1/s1