5-bromanyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]furan-2-carboxamide CAS Name: 5-bromo-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]-2-furamide Formula: C12H15BrN3O2+ MolecularWeight: 313.1704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(C1CNC(=O)C2=CC=C(O2)Br)C)C

Isomeric SMILES

CC1=N[N+](=C(C1CNC(=O)C2=CC=C(O2)Br)C)C

InChI

InChI=1S/C12H14BrN3O2/c1-7-9(8(2)16(3)15-7)6-14-12(17)10-4-5-11(13)18-10/h4-5,9H,6H2,1-3H3/p+1