N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-5-propyl-isoxazole-3-carboxamide CAS Name: N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-5-propyl-3-isoxazolecarboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-5-propyl-isoxazole-3-carboxamide Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NO1)C(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3

Isomeric SMILES

CCCC1=CC(=NO1)C(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3

InChI

InChI=1S/C17H22N4O3/c1-2-4-14-11-15(20-24-14)17(22)19-12-13-5-3-6-18-16(13)21-7-9-23-10-8-21/h3,5-6,11H,2,4,7-10,12H2,1H3,(H,19,22)/p+1