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

Systemtic Name: 2-(4-bromanyl-2-methyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-bromo-2-methyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(4-bromo-2-methylphenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-methylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-bromo-2-methyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C18H21BrN3O2+ MolecularWeight: 391.28224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

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