N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-4-phenoxy-benzamide

Systemtic Name: N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-4-phenoxy-benzamide Openeye Name: N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-4-phenoxy-benzamide CAS Name: N-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-4-phenoxybenzamide IUPAC Name: N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-4-phenoxybenzamide Traditional Name: N-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-4-phenoxy-benzamide Formula: C24H25N4O3+ MolecularWeight: 417.4803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O3/c29-23(28-16-14-27(15-17-28)22-8-4-5-13-25-22)18-26-24(30)19-9-11-21(12-10-19)31-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,26,30)/p+1