2-(azepan-1-ium-1-yl)-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(4-nitrophenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(4-nitrophenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(4-nitrophenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(4-nitrophenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(4-nitrophenyl)acetamide Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O3/c18-14(11-16-9-3-1-2-4-10-16)15-12-5-7-13(8-6-12)17(19)20/h5-8H,1-4,9-11H2,(H,15,18)/p+1