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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C15H21N3O4/c1-22-14-7-6-12(18(20)21)10-13(14)16-15(19)11-17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11H2,1H3,(H,16,19)/p+1