methyl (3R)-2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: methyl (3R)-2-[2-(isobutylamino)-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3R)-2-[2-(2-methylpropylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-methylpropylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3R)-2-[2-(isobutylamino)-2-keto-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CC2=CC=CC=C2CC1C(=O)OC

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CC2=CC=CC=C2C[C@@H]1C(=O)OC

InChI

InChI=1S/C17H24N2O3/c1-12(2)9-18-16(20)11-19-10-14-7-5-4-6-13(14)8-15(19)17(21)22-3/h4-7,12,15H,8-11H2,1-3H3,(H,18,20)/p+1/t15-/m1/s1