N-(4-cyanophenyl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]acetamide CAS Name: N-(4-cyanophenyl)-2-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]acetamide Traditional Name: N-(4-cyanophenyl)-2-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]acetamide Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N5O3/c21-13-16-4-6-17(7-5-16)23-19(26)14-28-15-20(27)25-11-9-24(10-12-25)18-3-1-2-8-22-18/h1-8H,9-12,14-15H2,(H,23,26)/p+1