N-phenyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-phenyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-phenyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: 2-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]-N-phenylbenzamide IUPAC Name: N-phenyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-phenyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C24H27N5O2+2 MolecularWeight: 417.50348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H25N5O2/c30-23(18-28-14-16-29(17-15-28)22-12-6-7-13-25-22)27-21-11-5-4-10-20(21)24(31)26-19-8-2-1-3-9-19/h1-13H,14-18H2,(H,26,31)(H,27,30)/p+2