(2R)-1-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[1-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxylate Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC[NH+]2CCC3=CC=CC=C3C2)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)CCC[NH+]2CCC3=CC=CC=C3C2)C(=O)[O-]

InChI

InChI=1S/C18H24N2O3/c21-17(20-11-3-7-16(20)18(22)23)8-4-10-19-12-9-14-5-1-2-6-15(14)13-19/h1-2,5-6,16H,3-4,7-13H2,(H,22,23)/t16-/m1/s1