2-(azepan-1-ium-1-yl)-N-(2-chloranylpyridin-3-yl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(2-chloranylpyridin-3-yl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2-chloro-3-pyridyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(2-chloro-3-pyridinyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2-chloropyridin-3-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2-chloro-3-pyridyl)acetamide Formula: C13H19ClN3O+ MolecularWeight: 268.76246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O/c14-13-11(6-5-7-15-13)16-12(18)10-17-8-3-1-2-4-9-17/h5-7H,1-4,8-10H2,(H,16,18)/p+1