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

Systemtic Name: 1-[2-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethoxy]ethyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[2-[2-(4-bromo-2-isopropyl-phenoxy)ethoxy]ethyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[2-[2-(4-bromo-2-propan-2-ylphenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[2-[2-(4-bromo-2-propan-2-ylphenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[2-[2-(4-bromo-2-isopropyl-phenoxy)ethoxy]ethyl]-4-methyl-piperazine-1,4-diium Formula: C18H31BrN2O2+2 MolecularWeight: 387.35494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29BrN2O2/c1-15(2)17-14-16(19)4-5-18(17)23-13-12-22-11-10-21-8-6-20(3)7-9-21/h4-5,14-15H,6-13H2,1-3H3/p+2