[2-(oxidanylcarbamoyl)-1-sulfonyl-2,3,4,7-tetrahydroazepin-1-ium-3-yl]carbamic acid

Systemtic Name: [2-(oxidanylcarbamoyl)-1-sulfonyl-2,3,4,7-tetrahydroazepin-1-ium-3-yl]carbamic acid Openeye Name: [2-(hydroxycarbamoyl)-1-sulfonyl-2,3,4,7-tetrahydroazepin-1-ium-3-yl]carbamic acid CAS Name: [2-[(hydroxyamino)-oxomethyl]-1-sulfonyl-2,3,4,7-tetrahydroazepin-1-ium-3-yl]carbamic acid IUPAC Name: [2-(hydroxycarbamoyl)-1-sulfonyl-2,3,4,7-tetrahydroazepin-1-ium-3-yl]carbamic acid Traditional Name: [2-(hydroxycarbamoyl)-1-sulfonyl-2,3,4,7-tetrahydroazepin-1-ium-3-yl]carbamic acid Formula: C8H12N3O6S+ MolecularWeight: 278.26238

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC[N+](=S(=O)=O)C(C1NC(=O)O)C(=O)NO

Isomeric SMILES

C1C=CC[N+](=S(=O)=O)C(C1NC(=O)O)C(=O)NO

InChI

InChI=1S/C8H11N3O6S/c12-7(10-15)6-5(9-8(13)14)3-1-2-4-11(6)18(16)17/h1-2,5-6,9H,3-4H2,(H2-,10,12,13,14,15)/p+1