2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C15H19N6O2S+ MolecularWeight: 347.41536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C(=O)N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C(=O)N)C3=NC=CC=N3

InChI

InChI=1S/C15H18N6O2S/c16-13(23)11-2-9-24-14(11)19-12(22)10-20-5-7-21(8-6-20)15-17-3-1-4-18-15/h1-4,9H,5-8,10H2,(H2,16,23)(H,19,22)/p+1