3-[(4-bromanylpyrazol-1-yl)methyl]-N-(pyridin-1-ium-4-ylmethyl)benzamide

Systemtic Name: 3-[(4-bromanylpyrazol-1-yl)methyl]-N-(pyridin-1-ium-4-ylmethyl)benzamide Openeye Name: 3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-1-ium-4-ylmethyl)benzamide CAS Name: 3-[(4-bromo-1-pyrazolyl)methyl]-N-(4-pyridin-1-iumylmethyl)benzamide IUPAC Name: 3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-1-ium-4-ylmethyl)benzamide Traditional Name: 3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-1-ium-4-ylmethyl)benzamide Formula: C17H16BrN4O+ MolecularWeight: 372.23914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C=N2)Br)C(=O)NCC3=CC=[NH+]C=C3

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C=N2)Br)C(=O)NCC3=CC=[NH+]C=C3

InChI

InChI=1S/C17H15BrN4O/c18-16-10-21-22(12-16)11-14-2-1-3-15(8-14)17(23)20-9-13-4-6-19-7-5-13/h1-8,10,12H,9,11H2,(H,20,23)/p+1