3,5-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1,2-oxazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]isoxazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-4-isoxazolecarboxamide IUPAC Name: 3,5-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1,2-oxazole-4-carboxamide Traditional Name: 3,5-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]isoxazole-4-carboxamide Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2/c1-12-16(13(2)22-19-12)17(21)18-8-10-20-9-7-14-5-3-4-6-15(14)11-20/h3-6H,7-11H2,1-2H3,(H,18,21)/p+1