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

Systemtic Name: N-(1-adamantyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(1-adamantyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(1-adamantyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(1-adamantyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(1-adamantyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3/c1-27-20-8-18-3-4-25(13-19(18)9-21(20)28-2)14-22(26)24-23-10-15-5-16(11-23)7-17(6-15)12-23/h8-9,15-17H,3-7,10-14H2,1-2H3,(H,24,26)/p+1