3-chloranyl-4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]benzenecarbonitrile Openeye Name: 3-chloro-4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]benzonitrile CAS Name: 3-chloro-4-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-chloro-4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]benzonitrile Traditional Name: 3-chloro-4-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]benzonitrile Formula: C18H18ClN4O2+ MolecularWeight: 357.81412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H17ClN4O2/c19-15-11-14(12-20)4-5-16(15)25-13-18(24)23-9-7-22(8-10-23)17-3-1-2-6-21-17/h1-6,11H,7-10,13H2/p+1