5-(isoquinolin-5-yloxymethyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(isoquinolin-5-yloxymethyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(5-isoquinolyloxymethyl)-N-(3-morpholin-4-ium-4-ylpropyl)isoxazole-3-carboxamide CAS Name: 5-(5-isoquinolinyloxymethyl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-isoxazolecarboxamide IUPAC Name: 5-(isoquinolin-5-yloxymethyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(5-isoquinolyloxymethyl)-N-(3-morpholin-4-ium-4-ylpropyl)isoxazole-3-carboxamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H24N4O4/c26-21(23-6-2-8-25-9-11-27-12-10-25)19-13-17(29-24-19)15-28-20-4-1-3-16-14-22-7-5-18(16)20/h1,3-5,7,13-14H,2,6,8-12,15H2,(H,23,26)/p+1