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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C15H18N3O2+ MolecularWeight: 272.32232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2/c1-11-8-14(17-20-11)16-15(19)10-18-7-6-12-4-2-3-5-13(12)9-18/h2-5,8H,6-7,9-10H2,1H3,(H,16,17,19)/p+1