4-bromanyl-2-methyl-N-(pyridin-1-ium-4-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-2-methyl-N-(pyridin-1-ium-4-ylmethyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-2-methyl-N-(pyridin-1-ium-4-ylmethyl)pyrazole-3-carboxamide CAS Name: 4-bromo-2-methyl-N-(4-pyridin-1-iumylmethyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-2-methyl-N-(pyridin-1-ium-4-ylmethyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-2-methyl-N-(pyridin-1-ium-4-ylmethyl)pyrazole-3-carboxamide Formula: C11H12BrN4O+ MolecularWeight: 296.14318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C(=O)NCC2=CC=[NH+]C=C2

Isomeric SMILES

CN1C(=C(C=N1)Br)C(=O)NCC2=CC=[NH+]C=C2

InChI

InChI=1S/C11H11BrN4O/c1-16-10(9(12)7-15-16)11(17)14-6-8-2-4-13-5-3-8/h2-5,7H,6H2,1H3,(H,14,17)/p+1