1-(4-azanyl-3-oxidanyl-phenyl)-1,3-dimethyl-pyrrol-1-ium-2,5-dione

Systemtic Name: 1-(4-azanyl-3-oxidanyl-phenyl)-1,3-dimethyl-pyrrol-1-ium-2,5-dione Openeye Name: 1-(4-amino-3-hydroxy-phenyl)-1,3-dimethyl-pyrrol-1-ium-2,5-dione CAS Name: 1-(4-amino-3-hydroxyphenyl)-1,3-dimethylpyrrol-1-ium-2,5-dione IUPAC Name: 1-(4-amino-3-hydroxyphenyl)-1,3-dimethylpyrrol-1-ium-2,5-dione Traditional Name: 1-(4-amino-3-hydroxy-phenyl)-1,3-dimethyl-3-pyrrolin-1-ium-2,5-quinone Formula: C12H13N2O3+ MolecularWeight: 233.24322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+](C1=O)(C)C2=CC(=C(C=C2)N)O

Isomeric SMILES

CC1=CC(=O)[N+](C1=O)(C)C2=CC(=C(C=C2)N)O

InChI

InChI=1S/C12H12N2O3/c1-7-5-11(16)14(2,12(7)17)8-3-4-9(13)10(15)6-8/h3-6H,1-2H3,(H2-,13,15,16,17)/p+1