N-(1-adamantylcarbamoyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C24H34N3O4+ MolecularWeight: 428.54446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C24H33N3O4/c1-30-20-8-18-3-4-27(13-19(18)9-21(20)31-2)14-22(28)25-23(29)26-24-10-15-5-16(11-24)7-17(6-15)12-24/h8-9,15-17H,3-7,10-14H2,1-2H3,(H2,25,26,28,29)/p+1