(3R)-2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-[(5-pyrrolidinosulfonyl-2-furyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)C[NH+]3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)C[NH+]3CC4=CC=CC=C4C[C@@H]3C(=O)N

InChI

InChI=1S/C19H23N3O4S/c20-19(23)17-11-14-5-1-2-6-15(14)12-21(17)13-16-7-8-18(26-16)27(24,25)22-9-3-4-10-22/h1-2,5-8,17H,3-4,9-13H2,(H2,20,23)/p+1/t17-/m1/s1