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

Systemtic Name: 2-(2-bromanyl-4-propan-2-yl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2-bromo-4-isopropyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(2-bromo-4-propan-2-ylphenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-bromo-4-propan-2-ylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2-bromo-4-isopropyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C20H25BrN3O2+ MolecularWeight: 419.3354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O2/c1-15(2)16-6-7-18(17(21)13-16)26-14-20(25)24-11-9-23(10-12-24)19-5-3-4-8-22-19/h3-8,13,15H,9-12,14H2,1-2H3/p+1