3-[8,9-dimethoxy-5,11-bis(oxidanylidene)indeno[1,2-c]isoquinolin-6-yl]propylazanium chloride

Systemtic Name: 3-[8,9-dimethoxy-5,11-bis(oxidanylidene)indeno[1,2-c]isoquinolin-6-yl]propylazanium chloride Openeye Name: 3-(8,9-dimethoxy-5,11-dioxo-indeno[1,2-c]isoquinolin-6-yl)propylammonium chloride CAS Name: 3-(8,9-dimethoxy-5,11-dioxo-6-indeno[1,2-c]isoquinolinyl)propylammonium chloride IUPAC Name: 3-(8,9-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propylazanium chloride Traditional Name: 3-(5,11-diketo-8,9-dimethoxy-inden[1,2-c]isoquinolin-6-yl)propylammonium chloride Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCC[NH3+])OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCC[NH3+])OC.[Cl-]

InChI

InChI=1S/C21H20N2O4.ClH/c1-26-16-10-14-15(11-17(16)27-2)20(24)18-12-6-3-4-7-13(12)21(25)23(19(14)18)9-5-8-22;/h3-4,6-7,10-11H,5,8-9,22H2,1-2H3;1H