(2R)-2-(4-bromanylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-(4-bromanylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-(4-bromophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-(4-bromophenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-(4-bromophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-(4-bromophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C18H21BrN3O2+ MolecularWeight: 391.28224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)OC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3O2/c1-14(24-16-7-5-15(19)6-8-16)18(23)22-12-10-21(11-13-22)17-4-2-3-9-20-17/h2-9,14H,10-13H2,1H3/p+1/t14-/m1/s1