1-(3-chloranyl-1-adamantyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride

Systemtic Name: 1-(3-chloranyl-1-adamantyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride Openeye Name: 1-(3-chloro-1-adamantyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride CAS Name: 1-(3-chloro-1-adamantyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride IUPAC Name: 1-(3-chloro-1-adamantyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride Traditional Name: 1-(3-chloro-1-adamantyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride Formula: C21H27Cl2NO2 MolecularWeight: 396.35058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[NH+]=C2C34CC5CC(C3)CC(C5)(C4)Cl)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[NH+]=C2C34CC5CC(C3)CC(C5)(C4)Cl)OC.[Cl-]

InChI

InChI=1S/C21H26ClNO2.ClH/c1-24-17-6-15-3-4-23-19(16(15)7-18(17)25-2)20-8-13-5-14(9-20)11-21(22,10-13)12-20;/h6-7,13-14H,3-5,8-12H2,1-2H3;1H