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

Systemtic Name: 2-bromanyl-6-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]phenol Openeye Name: 2-bromo-6-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]phenol CAS Name: 2-bromo-6-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]phenol IUPAC Name: 2-bromo-6-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]phenol Traditional Name: 2-bromo-6-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]phenol Formula: C14H23BrN2O2+2 MolecularWeight: 331.24862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2O2/c1-16-4-3-5-17(7-6-16)10-11-8-12(15)14(18)13(9-11)19-2/h8-9,18H,3-7,10H2,1-2H3/p+2