13-ethyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9,10-tetrol chloride

Systemtic Name: 13-ethyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9,10-tetrol chloride Openeye Name: 13-ethyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9,10-tetrol chloride CAS Name: 13-ethyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9,10-tetrol chloride IUPAC Name: 13-ethyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9,10-tetrol chloride Traditional Name: 13-ethyl-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium-2,3,9,10-tetrol chloride Formula: C19H18ClNO4 MolecularWeight: 359.80352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)O)O)O)O.[Cl-]

Isomeric SMILES

CCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)O)O)O)O.[Cl-]

InChI

InChI=1S/C19H17NO4.ClH/c1-2-11-12-3-4-15(21)19(24)14(12)9-20-6-5-10-7-16(22)17(23)8-13(10)18(11)20;/h3-4,7-9H,2,5-6H2,1H3,(H3,21,22,23,24);1H