(3R)-N-(1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-thiazol-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(2-thiazolyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-thiazol-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C13H14N3OS+ MolecularWeight: 260.33476

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)NC3=NC=CS3

Isomeric SMILES

C1[C@@H]([NH2+]CC2=CC=CC=C21)C(=O)NC3=NC=CS3

InChI

InChI=1S/C13H13N3OS/c17-12(16-13-14-5-6-18-13)11-7-9-3-1-2-4-10(9)8-15-11/h1-6,11,15H,7-8H2,(H,14,16,17)/p+1/t11-/m1/s1