2-[2-oxidanylidene-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidin-1-ium-1-yl]ethanamide hydrate

Systemtic Name: 2-[2-oxidanylidene-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidin-1-ium-1-yl]ethanamide hydrate Openeye Name: 2-[2-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidin-1-ium-1-yl]acetamide hydrate CAS Name: 2-[2-oxo-1-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-pyrrolidin-1-iumyl]acetamide hydrate IUPAC Name: 2-[2-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidin-1-ium-1-yl]acetamide hydrate Traditional Name: 2-[2-keto-1-[2-[4-(2-pyrimidyl)piperazino]ethyl]pyrrolidin-1-ium-1-yl]acetamide hydrate Formula: C16H27N6O3+ MolecularWeight: 351.42398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1)(CCN2CCN(CC2)C3=NC=CC=N3)CC(=O)N.O

Isomeric SMILES

C1CC(=O)[N+](C1)(CCN2CCN(CC2)C3=NC=CC=N3)CC(=O)N.O

InChI

InChI=1S/C16H24N6O2.H2O/c17-14(23)13-22(11-1-3-15(22)24)12-10-20-6-8-21(9-7-20)16-18-4-2-5-19-16;/h2,4-5H,1,3,6-13H2,(H-,17,23);1H2/p+1