3-[(5-oxidanylidene-1,4-diazepan-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[(5-oxidanylidene-1,4-diazepan-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[(5-oxo-1,4-diazepan-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one CAS Name: 3-[(5-oxo-1,4-diazepan-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[(5-oxo-1,4-diazepan-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[(5-keto-1,4-diazepan-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one Formula: C13H16N3O3+ MolecularWeight: 262.28444

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCNC1=O)CN2C3=CC=CC=C3OC2=O

Isomeric SMILES

C1C[NH+](CCNC1=O)CN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C13H15N3O3/c17-12-5-7-15(8-6-14-12)9-16-10-3-1-2-4-11(10)19-13(16)18/h1-4H,5-9H2,(H,14,17)/p+1