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

Systemtic Name: N-[(Z)-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[(Z)-(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyleneamino]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[(Z)-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[(Z)-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[(Z)-(4-benzoxy-3-bromo-5-ethoxy-benzylidene)amino]-2-morpholin-4-ium-4-yl-acetamide Formula: C22H27BrN3O4+ MolecularWeight: 477.37148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)C[NH+]2CCOCC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N\NC(=O)C[NH+]2CCOCC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H26BrN3O4/c1-2-29-20-13-18(14-24-25-21(27)15-26-8-10-28-11-9-26)12-19(23)22(20)30-16-17-6-4-3-5-7-17/h3-7,12-14H,2,8-11,15-16H2,1H3,(H,25,27)/p+1/b24-14-