1-[3-(4-bromanyl-2-propan-2-yl-phenoxy)propyl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[3-(4-bromanyl-2-propan-2-yl-phenoxy)propyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[3-(4-bromo-2-isopropyl-phenoxy)propyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[3-(4-bromo-2-propan-2-ylphenoxy)propyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[3-(4-bromo-2-propan-2-ylphenoxy)propyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[3-(4-bromo-2-isopropyl-phenoxy)propyl]-4-ethyl-piperazine-1,4-diium Formula: C18H31BrN2O+2 MolecularWeight: 371.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCOC2=C(C=C(C=C2)Br)C(C)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCOC2=C(C=C(C=C2)Br)C(C)C

InChI

InChI=1S/C18H29BrN2O/c1-4-20-9-11-21(12-10-20)8-5-13-22-18-7-6-16(19)14-17(18)15(2)3/h6-7,14-15H,4-5,8-13H2,1-3H3/p+2