2-bromanyl-6-methoxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]phenol

Systemtic Name: 2-bromanyl-6-methoxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]phenol Openeye Name: 2-bromo-6-methoxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]phenol CAS Name: 2-bromo-6-methoxy-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]phenol IUPAC Name: 2-bromo-6-methoxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]phenol Traditional Name: 2-bromo-6-methoxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]phenol Formula: C13H21BrN2O2+2 MolecularWeight: 317.22204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN2O2/c1-15-3-5-16(6-4-15)9-10-7-11(14)13(17)12(8-10)18-2/h7-8,17H,3-6,9H2,1-2H3/p+2