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

Systemtic Name: 4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]benzamide Openeye Name: 4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]benzamide CAS Name: 4-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]benzamide IUPAC Name: 4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]benzamide Traditional Name: 4-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]benzamide Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/c19-18(24)14-4-6-15(7-5-14)25-13-17(23)22-11-9-21(10-12-22)16-3-1-2-8-20-16/h1-8H,9-13H2,(H2,19,24)/p+1