[(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [(2S,4R)-4-hydroxy-2-pyrrolidin-1-iumyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C13H20N5O2+ MolecularWeight: 278.3302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3CC(C[NH2+]3)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)[C@@H]3C[C@H](C[NH2+]3)O

InChI

InChI=1S/C13H19N5O2/c19-10-8-11(16-9-10)12(20)17-4-6-18(7-5-17)13-14-2-1-3-15-13/h1-3,10-11,16,19H,4-9H2/p+1/t10-,11+/m1/s1