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

Systemtic Name: 4-(2-azanyl-1H-imidazol-3-ium-5-yl)-3-bromanyl-6,7-dihydro-1H-pyrrolo[2,3-c]azepin-8-one Openeye Name: 4-(2-amino-1H-imidazol-3-ium-5-yl)-3-bromo-6,7-dihydro-1H-pyrrolo[2,3-c]azepin-8-one CAS Name: 4-(2-amino-1H-imidazol-3-ium-5-yl)-3-bromo-6,7-dihydro-1H-pyrrolo[2,3-c]azepin-8-one IUPAC Name: 4-(2-amino-1H-imidazol-3-ium-5-yl)-3-bromo-6,7-dihydro-1H-pyrrolo[2,3-c]azepin-8-one Traditional Name: 4-(2-amino-1H-imidazol-3-ium-5-yl)-3-bromo-6,7-dihydro-1H-pyrrol[2,3-c]azepin-8-one Formula: C11H11BrN5O+ MolecularWeight: 309.14194

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2=C(C(=O)N1)NC=C2Br)C3=C[NH+]=C(N3)N

Isomeric SMILES

C1C=C(C2=C(C(=O)N1)NC=C2Br)C3=C[NH+]=C(N3)N

InChI

InChI=1S/C11H10BrN5O/c12-6-3-15-9-8(6)5(1-2-14-10(9)18)7-4-16-11(13)17-7/h1,3-4,15H,2H2,(H,14,18)(H3,13,16,17)/p+1