[2,4-bis(oxidanyl)phenyl]-(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: [2,4-bis(oxidanyl)phenyl]-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(2,4-dihydroxyphenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(2,4-dihydroxyphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(2,4-dihydroxyphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(2,4-dihydroxyphenyl)methanone Formula: C12H17N2O3+ MolecularWeight: 237.27498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3/c15-9-2-3-10(11(16)8-9)12(17)14-6-1-4-13-5-7-14/h2-3,8,13,15-16H,1,4-7H2/p+1