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

Systemtic Name: 4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]benzenecarbonitrile Openeye Name: 4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]benzonitrile CAS Name: 4-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]benzonitrile Traditional Name: 4-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]benzonitrile Formula: C18H19N4O2+ MolecularWeight: 323.36906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2/c19-13-15-4-6-16(7-5-15)24-14-18(23)22-11-9-21(10-12-22)17-3-1-2-8-20-17/h1-8H,9-12,14H2/p+1