4-bromanyl-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]phenol

Systemtic Name: 4-bromanyl-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]phenol Openeye Name: 4-bromo-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]phenol CAS Name: 4-bromo-2-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]phenol IUPAC Name: 4-bromo-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]phenol Traditional Name: 4-bromo-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]phenol Formula: C13H21BrN2O+2 MolecularWeight: 301.22264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC(=C2)Br)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C13H19BrN2O/c1-2-15-5-7-16(8-6-15)10-11-9-12(14)3-4-13(11)17/h3-4,9,17H,2,5-8,10H2,1H3/p+2