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

Systemtic Name: 3-(3-bromanylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(3-bromophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(3-bromophenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-bromophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(3-bromophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C18H21BrN3O2+ MolecularWeight: 391.28224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCOC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H20BrN3O2/c19-15-4-3-5-16(14-15)24-13-7-18(23)22-11-9-21(10-12-22)17-6-1-2-8-20-17/h1-6,8,14H,7,9-13H2/p+1