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

Systemtic Name: (2S)-1-[2-(2-bromanylphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2S)-1-[2-(2-bromophenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol CAS Name: (2S)-1-[2-(2-bromophenoxy)ethoxy]-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-[2-(2-bromophenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2S)-1-[2-(2-bromophenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazino)propan-2-ol Formula: C20H27BrN3O3+ MolecularWeight: 437.35068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCCOC2=CC=CC=C2Br)O)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C[C@@H](COCCOC2=CC=CC=C2Br)O)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H26BrN3O3/c21-18-5-1-2-6-19(18)27-14-13-26-16-17(25)15-23-9-11-24(12-10-23)20-7-3-4-8-22-20/h1-8,17,25H,9-16H2/p+1/t17-/m0/s1