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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC(=CC(=C2O)OC)Br

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC(=CC(=C2O)OC)Br

InChI

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