2-(azepan-1-ium-1-yl)-N-(2-chloranyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(2-chloranyl-4-nitro-phenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2-chloro-4-nitro-phenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(2-chloro-4-nitrophenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2-chloro-4-nitrophenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2-chloro-4-nitro-phenyl)acetamide Formula: C14H19ClN3O3+ MolecularWeight: 312.77196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O3/c15-12-9-11(18(20)21)5-6-13(12)16-14(19)10-17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,16,19)/p+1