3-[2-oxidanylidene-2-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[2-oxidanylidene-2-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-oxo-2-[3-(1-pyrimidin-2-yl-4-piperidyl)pyrrolidin-1-yl]ethyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-oxo-2-[3-[1-(2-pyrimidinyl)-4-piperidinyl]-1-pyrrolidinyl]ethyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-oxo-2-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]ethyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-keto-2-[3-[1-(2-pyrimidyl)-4-piperidyl]pyrrolidino]ethyl]oxadiazol-3-ium-5-olate Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(C2)C(=O)C[N+]3=NOC(=C3)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1C2CCN(C2)C(=O)C[N+]3=NOC(=C3)[O-])C4=NC=CC=N4

InChI

InChI=1S/C17H22N6O3/c24-15(11-23-12-16(25)26-20-23)22-9-4-14(10-22)13-2-7-21(8-3-13)17-18-5-1-6-19-17/h1,5-6,12-14H,2-4,7-11H2