4-methyl-1-(3-methylbutyl)-6-oxidanyl-2-oxidanylidene-3H-pyridin-1-ium-3-carbonitrile

Systemtic Name: 4-methyl-1-(3-methylbutyl)-6-oxidanyl-2-oxidanylidene-3H-pyridin-1-ium-3-carbonitrile Openeye Name: 6-hydroxy-1-isopentyl-4-methyl-2-oxo-3H-pyridin-1-ium-3-carbonitrile CAS Name: 6-hydroxy-4-methyl-1-(3-methylbutyl)-2-oxo-3H-pyridin-1-ium-3-carbonitrile IUPAC Name: 6-hydroxy-4-methyl-1-(3-methylbutyl)-2-oxo-3H-pyridin-1-ium-3-carbonitrile Traditional Name: 6-hydroxy-1-isoamyl-2-keto-4-methyl-3H-pyridin-1-ium-3-carbonitrile Formula: C12H17N2O2+ MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=O)C1C#N)CCC(C)C)O

Isomeric SMILES

CC1=CC(=[N+](C(=O)C1C#N)CCC(C)C)O

InChI

InChI=1S/C12H16N2O2/c1-8(2)4-5-14-11(15)6-9(3)10(7-13)12(14)16/h6,8,10H,4-5H2,1-3H3/p+1