6-tert-butyl-5-oxidanyl-5-phenyl-pyrrolo[3,4-b]pyridin-1-ium-7-one chloride

Systemtic Name: 6-tert-butyl-5-oxidanyl-5-phenyl-pyrrolo[3,4-b]pyridin-1-ium-7-one chloride Openeye Name: 6-tert-butyl-5-hydroxy-5-phenyl-pyrrolo[3,4-b]pyridin-1-ium-7-one chloride CAS Name: 6-tert-butyl-5-hydroxy-5-phenyl-7-pyrrolo[3,4-b]pyridin-1-iumone chloride IUPAC Name: 6-tert-butyl-5-hydroxy-5-phenylpyrrolo[3,4-b]pyridin-1-ium-7-one chloride Traditional Name: 6-tert-butyl-5-hydroxy-5-phenyl-pyrrolo[3,4-b]pyridin-1-ium-7-one chloride Formula: C17H19ClN2O2 MolecularWeight: 318.79796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=C(C1(C3=CC=CC=C3)O)C=CC=[NH+]2.[Cl-]

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(C1(C3=CC=CC=C3)O)C=CC=[NH+]2.[Cl-]

InChI

InChI=1S/C17H18N2O2.ClH/c1-16(2,3)19-15(20)14-13(10-7-11-18-14)17(19,21)12-8-5-4-6-9-12;/h4-11,21H,1-3H3;1H