1,4-diazepan-4-ium-1-yl(1,2-oxazol-5-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl(1,2-oxazol-5-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl(isoxazol-5-yl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl(5-isoxazolyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl(1,2-oxazol-5-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl(isoxazol-5-yl)methanone Formula: C9H14N3O2+ MolecularWeight: 196.22636

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC=NO2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC=NO2

InChI

InChI=1S/C9H13N3O2/c13-9(8-2-4-11-14-8)12-6-1-3-10-5-7-12/h2,4,10H,1,3,5-7H2/p+1