(3R)-2-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-2-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-[2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-[2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)C[NH+]3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)C[NH+]3CC4=CC=CC=C4C[C@@H]3C(=O)N

InChI

InChI=1S/C21H24N4O3/c22-20(27)18-10-14-5-1-2-6-15(14)12-25(18)13-19(26)16-9-17(23-11-16)21(28)24-7-3-4-8-24/h1-2,5-6,9,11,18,23H,3-4,7-8,10,12-13H2,(H2,22,27)/p+1/t18-/m1/s1