(3E)-3-[oxidanyl-(phenethylamino)methylidene]-2H-isoquinoline-7,8-dione hydrochloride

Systemtic Name: (3E)-3-[oxidanyl-(phenethylamino)methylidene]-2H-isoquinoline-7,8-dione hydrochloride Openeye Name: (3E)-3-[hydroxy-(phenethylamino)methylene]-2H-isoquinoline-7,8-dione hydrochloride CAS Name: (3E)-3-[hydroxy-(phenethylamino)methylidene]-2H-isoquinoline-7,8-dione hydrochloride IUPAC Name: (3E)-3-[hydroxy-(phenethylamino)methylidene]-2H-isoquinoline-7,8-dione hydrochloride Traditional Name: (3E)-3-[hydroxy-(phenethylamino)methylene]-2H-isoquinoline-7,8-quinone hydrochloride Formula: C18H17ClN2O3 MolecularWeight: 344.79218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=C2C=C3C=CC(=O)C(=O)C3=CN2)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN/C(=C\2/C=C3C=CC(=O)C(=O)C3=CN2)/O.Cl

InChI

InChI=1S/C18H16N2O3.ClH/c21-16-7-6-13-10-15(20-11-14(13)17(16)22)18(23)19-9-8-12-4-2-1-3-5-12;/h1-7,10-11,19-20,23H,8-9H2;1H/b18-15+;