4-bromanyl-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide Openeye Name: 4-bromo-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide CAS Name: 4-bromo-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide IUPAC Name: 4-bromo-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide Traditional Name: 4-bromo-N-[3-(1H-imidazol-1-ium-1-yl)propyl]benzamide Formula: C13H15BrN3O+ MolecularWeight: 309.1817

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC[NH+]2C=CN=C2)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC[NH+]2C=CN=C2)Br

InChI

InChI=1S/C13H14BrN3O/c14-12-4-2-11(3-5-12)13(18)16-6-1-8-17-9-7-15-10-17/h2-5,7,9-10H,1,6,8H2,(H,16,18)/p+1