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

Systemtic Name: 2-ethoxy-N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide Openeye Name: 2-ethoxy-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide CAS Name: 2-ethoxy-N-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 2-ethoxy-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide Traditional Name: 2-ethoxy-N-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]benzamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C20H24N4O3/c1-2-27-18-6-4-3-5-17(18)20(26)22-15-19(25)24-13-11-23(12-14-24)16-7-9-21-10-8-16/h3-10H,2,11-15H2,1H3,(H,22,26)/p+1