N-(5-chloranyl-2-cyano-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C18H20ClN5O+2 MolecularWeight: 357.8373

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)C#N)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)C#N)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H18ClN5O/c19-15-5-4-14(12-20)16(11-15)22-18(25)13-23-7-9-24(10-8-23)17-3-1-2-6-21-17/h1-6,11H,7-10,13H2,(H,22,25)/p+2