1-[2-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethoxy]ethyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[2-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethoxy]ethyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[2-[2-(4-bromo-2-isopropyl-phenoxy)ethoxy]ethyl]-4-methyl-piperazin-4-ium CAS Name: 1-[2-[2-(4-bromo-2-propan-2-ylphenoxy)ethoxy]ethyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[2-[2-(4-bromo-2-propan-2-ylphenoxy)ethoxy]ethyl]-4-methylpiperazin-4-ium Traditional Name: 1-[2-[2-(4-bromo-2-isopropyl-phenoxy)ethoxy]ethyl]-4-methyl-piperazin-4-ium Formula: C18H30BrN2O2+ MolecularWeight: 386.347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)OCCOCCN2CC[NH+](CC2)C

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)OCCOCCN2CC[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+1