2-[4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]phenol Formula: C19H22BrN2O3+ MolecularWeight: 406.29358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCCO3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCCO3)C4=CC=CC=C4O

InChI

InChI=1S/C19H21BrN2O3/c20-15-12-19-18(24-9-10-25-19)11-14(15)13-21-5-7-22(8-6-21)16-3-1-2-4-17(16)23/h1-4,11-12,23H,5-10,13H2/p+1