2-(azocan-1-ium-1-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(5-nitro-2-furyl)methyleneamino]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[(Z)-(5-nitro-2-furanyl)methylideneamino]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(5-nitro-2-furyl)methyleneamino]acetamide Formula: C14H21N4O4+ MolecularWeight: 309.34094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)N/N=C\C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O4/c19-13(11-17-8-4-2-1-3-5-9-17)16-15-10-12-6-7-14(22-12)18(20)21/h6-7,10H,1-5,8-9,11H2,(H,16,19)/p+1/b15-10-