2-(2-bromanyl-4-ethyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)Br

InChI

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