N-[(Z)-(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[(Z)-(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[(Z)-(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[(Z)-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[(Z)-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[(Z)-(3-bromo-5-ethoxy-4-propargyloxy-benzylidene)amino]-2-morpholin-4-ium-4-yl-acetamide Formula: C18H23BrN3O4+ MolecularWeight: 425.29692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)C[NH+]2CCOCC2)Br)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N\NC(=O)C[NH+]2CCOCC2)Br)OCC#C

InChI

InChI=1S/C18H22BrN3O4/c1-3-7-26-18-15(19)10-14(11-16(18)25-4-2)12-20-21-17(23)13-22-5-8-24-9-6-22/h1,10-12H,4-9,13H2,2H3,(H,21,23)/p+1/b20-12-