4-(2-azanyl-1H-imidazol-3-ium-5-yl)-3-bromanyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one

Systemtic Name: 4-(2-azanyl-1H-imidazol-3-ium-5-yl)-3-bromanyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one Openeye Name: 4-(2-amino-1H-imidazol-3-ium-5-yl)-3-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one CAS Name: 4-(2-amino-1H-imidazol-3-ium-5-yl)-3-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one IUPAC Name: 4-(2-amino-1H-imidazol-3-ium-5-yl)-3-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one Traditional Name: 4-(2-amino-1H-imidazol-3-ium-5-yl)-3-bromo-4,5,6,7-tetrahydro-1H-pyrrol[2,3-c]azepin-8-one Formula: C11H13BrN5O+ MolecularWeight: 311.15782

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C2=C(C1C3=C[NH+]=C(N3)N)C(=CN2)Br

Isomeric SMILES

C1CNC(=O)C2=C(C1C3=C[NH+]=C(N3)N)C(=CN2)Br

InChI

InChI=1S/C11H12BrN5O/c12-6-3-15-9-8(6)5(1-2-14-10(9)18)7-4-16-11(13)17-7/h3-5,15H,1-2H2,(H,14,18)(H3,13,16,17)/p+1