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

Systemtic Name: 4-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile CAS Name: 4-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethoxy]benzonitrile IUPAC Name: 4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H20N4O2/c20-13-16-1-3-18(4-2-16)25-15-19(24)23-11-9-22(10-12-23)14-17-5-7-21-8-6-17/h1-8H,9-12,14-15H2/p+1