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

Systemtic Name: 4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: 4-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: 4-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: 4-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: 4-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C18H23N5O2+2 MolecularWeight: 341.40752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H21N5O2/c19-18(25)14-4-6-15(7-5-14)21-17(24)13-22-9-11-23(12-10-22)16-3-1-2-8-20-16/h1-8H,9-13H2,(H2,19,25)(H,21,24)/p+2