N-(oxan-4-ylmethyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-(oxan-4-ylmethyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-N-(tetrahydropyran-4-ylmethyl)isoxazole-3-carboxamide CAS Name: N-(4-oxanylmethyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-(oxan-4-ylmethyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-N-(tetrahydropyran-4-ylmethyl)isoxazole-3-carboxamide Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC(=O)C2=NOC(=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1COCCC1CNC(=O)C2=NOC(=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H25N3O3/c24-20(21-12-15-6-9-25-10-7-15)19-11-18(26-22-19)14-23-8-5-16-3-1-2-4-17(16)13-23/h1-4,11,15H,5-10,12-14H2,(H,21,24)/p+1