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

Systemtic Name: (2S)-1-(2-bromanylphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2S)-1-(2-bromophenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol CAS Name: (2S)-1-(2-bromophenoxy)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-(2-bromophenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2S)-1-(2-bromophenoxy)-3-(4-pyridin-1-ium-2-ylpiperazino)propan-2-ol Formula: C18H23BrN3O2+ MolecularWeight: 393.29812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC=C2Br)O)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C[C@@H](COC2=CC=CC=C2Br)O)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H22BrN3O2/c19-16-5-1-2-6-17(16)24-14-15(23)13-21-9-11-22(12-10-21)18-7-3-4-8-20-18/h1-8,15,23H,9-14H2/p+1/t15-/m0/s1