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

Systemtic Name: 1-[4-(4-bromanyl-2-propan-2-yl-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[4-(4-bromo-2-isopropyl-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[4-(4-bromo-2-propan-2-ylphenoxy)butyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[4-(4-bromo-2-propan-2-ylphenoxy)butyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[4-(4-bromo-2-isopropyl-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium Formula: C19H33BrN2O+2 MolecularWeight: 385.38212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2)Br)C(C)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2)Br)C(C)C

InChI

InChI=1S/C19H31BrN2O/c1-4-21-10-12-22(13-11-21)9-5-6-14-23-19-8-7-17(20)15-18(19)16(2)3/h7-8,15-16H,4-6,9-14H2,1-3H3/p+2