4-[5-[(3S)-piperidin-1-ium-3-yl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-[(3S)-piperidin-1-ium-3-yl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-[(3S)-piperidin-1-ium-3-yl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-[(3S)-3-piperidin-1-iumyl]-1,2,4-oxadiazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-[(3S)-piperidin-1-ium-3-yl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-[(3S)-piperidin-1-ium-3-yl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C13H16N3O2+ MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C2=NC(=C3C=CC(=O)C=C3)NO2

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C2=NC(=C3C=CC(=O)C=C3)NO2

InChI

InChI=1S/C13H15N3O2/c17-11-5-3-9(4-6-11)12-15-13(18-16-12)10-2-1-7-14-8-10/h3-6,10,14,16H,1-2,7-8H2/p+1/t10-/m0/s1