2-bromanyl-6-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenol

Systemtic Name: 2-bromanyl-6-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenol Openeye Name: 2-bromo-6-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenol CAS Name: 2-bromo-6-methoxy-4-[(4-methyl-1-piperazin-4-iumyl)methyl]phenol IUPAC Name: 2-bromo-6-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenol Traditional Name: 2-bromo-6-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenol Formula: C13H20BrN2O2+ MolecularWeight: 316.2141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(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+1