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

Systemtic Name: (3R)-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(4-methylthiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(4-methyl-2-thiazolyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(4-methylthiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C14H16N3OS+ MolecularWeight: 274.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

CC1=CSC(=N1)NC(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C14H15N3OS/c1-9-8-19-14(16-9)17-13(18)12-6-10-4-2-3-5-11(10)7-15-12/h2-5,8,12,15H,6-7H2,1H3,(H,16,17,18)/p+1/t12-/m1/s1