[(3S)-3-cyano-4-oxidanylidene-5-pyridin-1-ium-1-yl-pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-3-cyano-4-oxidanylidene-5-pyridin-1-ium-1-yl-pent-1-en-2-yl]azanium Openeye Name: [(2S)-2-cyano-1-methylene-3-oxo-4-pyridin-1-ium-1-yl-butyl]ammonium CAS Name: [(3S)-3-cyano-4-oxo-5-(1-pyridin-1-iumyl)pent-1-en-2-yl]ammonium IUPAC Name: [(3S)-3-cyano-4-oxo-5-pyridin-1-ium-1-ylpent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-1-cyano-2-keto-3-pyridin-1-ium-1-yl-propyl]vinylammonium Formula: C11H13N3O+2 MolecularWeight: 203.24042

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)C[N+]1=CC=CC=C1)[NH3+]

Isomeric SMILES

C=C([C@@H](C#N)C(=O)C[N+]1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C11H12N3O/c1-9(13)10(7-12)11(15)8-14-5-3-2-4-6-14/h2-6,10H,1,8,13H2/q+1/p+1/t10-/m1/s1