N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+]1CCC2=CC(=C(C=C2C1)OC)OC

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC2=CC(=C(C=C2C1)OC)OC

InChI

InChI=1S/C19H27N3O3/c1-13(2)19(3,12-20)21-18(23)11-22-7-6-14-8-16(24-4)17(25-5)9-15(14)10-22/h8-9,13H,6-7,10-11H2,1-5H3,(H,21,23)/p+1/t19-/m0/s1