2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(5-methylisoxazol-3-yl)acetamide Formula: C17H22N3O4+ MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C17H21N3O4/c1-11-6-16(19-24-11)18-17(21)10-20-5-4-12-7-14(22-2)15(23-3)8-13(12)9-20/h6-8H,4-5,9-10H2,1-3H3,(H,18,19,21)/p+1