4-[3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoylamino]benzamide

Systemtic Name: 4-[3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoylamino]benzamide Openeye Name: 4-[3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoylamino]benzamide CAS Name: 4-[[1-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propyl]amino]benzamide IUPAC Name: 4-[3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoylamino]benzamide Traditional Name: 4-[3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoylamino]benzamide Formula: C19H25N5O2+2 MolecularWeight: 355.4341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O2/c20-19(26)15-4-6-16(7-5-15)22-18(25)8-10-23-11-13-24(14-12-23)17-3-1-2-9-21-17/h1-7,9H,8,10-14H2,(H2,20,26)(H,22,25)/p+2