1-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[2-(4-bromo-2-isopropyl-phenoxy)ethyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[2-(4-bromo-2-isopropyl-phenoxy)ethyl]-4-methyl-piperazine-1,4-diium Formula: C16H27BrN2O+2 MolecularWeight: 343.30238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)OCC[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)OCC[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C16H25BrN2O/c1-13(2)15-12-14(17)4-5-16(15)20-11-10-19-8-6-18(3)7-9-19/h4-5,12-13H,6-11H2,1-3H3/p+2