N-[(Z)-(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[(Z)-(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[(Z)-(2-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]-2-morpholin-4-ium-4-yl-acetamide Formula: C17H21BrN3O4+ MolecularWeight: 411.27034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=NNC(=O)C[NH+]2CCOCC2)Br)OCC#C

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=N\NC(=O)C[NH+]2CCOCC2)Br)OCC#C

InChI

InChI=1S/C17H20BrN3O4/c1-3-6-25-16-10-14(18)13(9-15(16)23-2)11-19-20-17(22)12-21-4-7-24-8-5-21/h1,9-11H,4-8,12H2,2H3,(H,20,22)/p+1/b19-11-