(3R)-N-(3-methyl-1,2-oxazol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(3-methyl-1,2-oxazol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(3-methylisoxazol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(3-methyl-5-isoxazolyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(3-methyl-1,2-oxazol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(3-methylisoxazol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C14H16N3O2+ MolecularWeight: 258.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

CC1=NOC(=C1)NC(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C14H15N3O2/c1-9-6-13(19-17-9)16-14(18)12-7-10-4-2-3-5-11(10)8-15-12/h2-6,12,15H,7-8H2,1H3,(H,16,18)/p+1/t12-/m1/s1