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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: N-(5-methylisoxazol-3-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2/c1-12-10-15(18-21-12)17-16(20)7-9-19-8-6-13-4-2-3-5-14(13)11-19/h2-5,10H,6-9,11H2,1H3,(H,17,18,20)/p+1