5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ium-4-ylethyl)isoxazole-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ium-4-ylethyl)isoxazole-3-carboxamide Formula: C17H20N3O5+ MolecularWeight: 346.3578

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N3O5/c21-17(18-3-4-20-5-7-22-8-6-20)13-10-15(25-19-13)12-1-2-14-16(9-12)24-11-23-14/h1-2,9-10H,3-8,11H2,(H,18,21)/p+1