2-(azocan-1-ium-1-yl)-N-[(Z)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(3-bromo-4-methoxy-phenyl)methyleneamino]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(3-bromo-4-methoxy-benzylidene)amino]acetamide Formula: C17H25BrN3O2+ MolecularWeight: 383.3033

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C[NH+]2CCCCCCC2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N\NC(=O)C[NH+]2CCCCCCC2)Br

InChI

InChI=1S/C17H24BrN3O2/c1-23-16-8-7-14(11-15(16)18)12-19-20-17(22)13-21-9-5-3-2-4-6-10-21/h7-8,11-12H,2-6,9-10,13H2,1H3,(H,20,22)/p+1/b19-12-