N-[2,5-bis(chloranyl)phenyl]-1-(5-cyanopyridin-1-ium-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-1-(5-cyanopyridin-1-ium-2-yl)piperidine-4-carboxamide Openeye Name: 1-(5-cyanopyridin-1-ium-2-yl)-N-(2,5-dichlorophenyl)piperidine-4-carboxamide CAS Name: 1-(5-cyano-2-pyridin-1-iumyl)-N-(2,5-dichlorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-cyanopyridin-1-ium-2-yl)-N-(2,5-dichlorophenyl)piperidine-4-carboxamide Traditional Name: 1-(5-cyanopyridin-1-ium-2-yl)-N-(2,5-dichlorophenyl)isonipecotamide Formula: C18H17Cl2N4O+ MolecularWeight: 376.25978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)Cl)Cl)C3=[NH+]C=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)Cl)Cl)C3=[NH+]C=C(C=C3)C#N

InChI

InChI=1S/C18H16Cl2N4O/c19-14-2-3-15(20)16(9-14)23-18(25)13-5-7-24(8-6-13)17-4-1-12(10-21)11-22-17/h1-4,9,11,13H,5-8H2,(H,23,25)/p+1