6-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidin-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidin-3-yl]-1H-pyrimidin-4-one Openeye Name: 6-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-3-piperidyl]-1H-pyrimidin-4-one CAS Name: 6-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-1-iumyl]-3-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidin-3-yl]-1H-pyrimidin-4-one Traditional Name: 6-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-3-piperidyl]-1H-pyrimidin-4-one Formula: C17H19N6O2+ MolecularWeight: 339.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)C2=C[NH+]=C(C=C2)N3CCCC(C3)C4=CC(=O)N=CN4

Isomeric SMILES

CC1=NOC(=N1)C2=C[NH+]=C(C=C2)N3CCC[C@@H](C3)C4=CC(=O)N=CN4

InChI

InChI=1S/C17H18N6O2/c1-11-21-17(25-22-11)12-4-5-15(18-8-12)23-6-2-3-13(9-23)14-7-16(24)20-10-19-14/h4-5,7-8,10,13H,2-3,6,9H2,1H3,(H,19,20,24)/p+1/t13-/m0/s1