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

Systemtic Name: (3R)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-[(3-phenylisoxazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-[(3-phenyl-5-isoxazolyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-[(3-phenylisoxazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C20H20N3O2+ MolecularWeight: 334.3917

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CC3=CC(=NO3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1[C@@H]([NH+](CC2=CC=CC=C21)CC3=CC(=NO3)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C20H19N3O2/c21-20(24)19-10-15-8-4-5-9-16(15)12-23(19)13-17-11-18(22-25-17)14-6-2-1-3-7-14/h1-9,11,19H,10,12-13H2,(H2,21,24)/p+1/t19-/m1/s1