2-(azocan-1-ium-1-yl)-N-(3-chloranyl-4-cyano-phenyl)ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-(3-chloranyl-4-cyano-phenyl)ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-(3-chloro-4-cyanophenyl)acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-(3-chloro-4-cyano-phenyl)acetamide Formula: C16H21ClN3O+ MolecularWeight: 306.81044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C16H20ClN3O/c17-15-10-14(7-6-13(15)11-18)19-16(21)12-20-8-4-2-1-3-5-9-20/h6-7,10H,1-5,8-9,12H2,(H,19,21)/p+1