N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide Openeye Name: N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide CAS Name: N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide Traditional Name: N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NO2)C(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4

Isomeric SMILES

C1CCC2=C(C1)C(=NO2)C(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4

InChI

InChI=1S/C18H22N4O3/c23-18(16-14-5-1-2-6-15(14)25-21-16)20-12-13-4-3-7-19-17(13)22-8-10-24-11-9-22/h3-4,7H,1-2,5-6,8-12H2,(H,20,23)/p+1