2-(4-bromanyl-2,5-dimethyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(4-bromo-2,5-dimethylphenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-bromo-2,5-dimethyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C19H23BrN3O2+ MolecularWeight: 405.30882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H22BrN3O2/c1-14-12-17(15(2)11-16(14)20)25-13-19(24)23-9-7-22(8-10-23)18-5-3-4-6-21-18/h3-6,11-12H,7-10,13H2,1-2H3/p+1