4-[[4-(5-bromanylpyridin-2-yl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

Systemtic Name: 4-[[4-(5-bromanylpyridin-2-yl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-(5-bromo-2-pyridyl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[4-(5-bromo-2-pyridinyl)-1-piperazin-1-iumyl]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-(5-bromopyridin-2-yl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[4-(5-bromo-2-pyridyl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-isoxazole Formula: C15H20BrN4O+ MolecularWeight: 352.2495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C15H19BrN4O/c1-11-14(12(2)21-18-11)10-19-5-7-20(8-6-19)15-4-3-13(16)9-17-15/h3-4,9H,5-8,10H2,1-2H3/p+1