3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide

Systemtic Name: 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propanamide CAS Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: 3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propionamide Formula: C20H22ClN4O4+ MolecularWeight: 417.86608

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C20H21ClN4O4/c21-15-2-3-16-17(11-15)29-20(27)25(16)6-5-19(26)23-13-14-1-4-18(22-12-14)24-7-9-28-10-8-24/h1-4,11-12H,5-10,13H2,(H,23,26)/p+1