2-(1,4-diazepan-4-ium-1-yl)-6,7-bis(fluoranyl)-1,3-benzoxazole

Systemtic Name: 2-(1,4-diazepan-4-ium-1-yl)-6,7-bis(fluoranyl)-1,3-benzoxazole Openeye Name: 2-(1,4-diazepan-4-ium-1-yl)-6,7-difluoro-1,3-benzoxazole CAS Name: 2-(1,4-diazepan-4-ium-1-yl)-6,7-difluoro-1,3-benzoxazole IUPAC Name: 2-(1,4-diazepan-4-ium-1-yl)-6,7-difluoro-1,3-benzoxazole Traditional Name: 2-(1,4-diazepan-4-ium-1-yl)-6,7-difluoro-1,3-benzoxazole Formula: C12H14F2N3O+ MolecularWeight: 254.255866

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=NC3=C(O2)C(=C(C=C3)F)F

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=NC3=C(O2)C(=C(C=C3)F)F

InChI

InChI=1S/C12H13F2N3O/c13-8-2-3-9-11(10(8)14)18-12(16-9)17-6-1-4-15-5-7-17/h2-3,15H,1,4-7H2/p+1