(3R)-2-[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-2-[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-[2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-[2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-[2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CC(=O)NC(=O)NCCC3=CC=CS3)C(=O)N

Isomeric SMILES

C1[C@@H]([NH+](CC2=CC=CC=C21)CC(=O)NC(=O)NCCC3=CC=CS3)C(=O)N

InChI

InChI=1S/C19H22N4O3S/c20-18(25)16-10-13-4-1-2-5-14(13)11-23(16)12-17(24)22-19(26)21-8-7-15-6-3-9-27-15/h1-6,9,16H,7-8,10-12H2,(H2,20,25)(H2,21,22,24,26)/p+1/t16-/m1/s1