4-bromanyl-2-[[4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-yl]methyl]phenol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 4-bromanyl-2-[[4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-yl]methyl]phenol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 4-bromo-2-[[4-(4-methylpiperazin-4-ium-1-yl)-1-piperidyl]methyl]phenol; 2-hydroxy-2-oxo-acetate CAS Name: 4-bromo-2-[[4-(4-methyl-1-piperazin-4-iumyl)-1-piperidinyl]methyl]phenol; 2-hydroxy-2-oxoacetate IUPAC Name: 4-bromo-2-[[4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-yl]methyl]phenol; 2-hydroxy-2-oxoacetate Traditional Name: 4-bromo-2-[[4-(4-methylpiperazin-4-ium-1-yl)piperidino]methyl]phenol binoxalate Formula: C19H28BrN3O5 MolecularWeight: 458.34672

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C17H26BrN3O.C2H2O4/c1-19-8-10-21(11-9-19)16-4-6-20(7-5-16)13-14-12-15(18)2-3-17(14)22;3-1(4)2(5)6/h2-3,12,16,22H,4-11,13H2,1H3;(H,3,4)(H,5,6)