2-(azocan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C16H23N3O4/c1-23-15-8-7-13(19(21)22)11-14(15)17-16(20)12-18-9-5-3-2-4-6-10-18/h7-8,11H,2-6,9-10,12H2,1H3,(H,17,20)/p+1