3-methyl-5-oxidanyl-5-oxidanylidene-pentanoate; 1-methylpyridin-1-ium; chloride

Systemtic Name: 3-methyl-5-oxidanyl-5-oxidanylidene-pentanoate; 1-methylpyridin-1-ium; chloride Openeye Name: 5-hydroxy-3-methyl-5-oxo-pentanoate; 1-methylpyridin-1-ium; chloride CAS Name: 5-hydroxy-3-methyl-5-oxopentanoate; 1-methylpyridin-1-ium; chloride IUPAC Name: 5-hydroxy-3-methyl-5-oxopentanoate; 1-methylpyridin-1-ium; chloride Traditional Name: 5-hydroxy-5-keto-3-methyl-valerate; 1-methylpyridin-1-ium; chloride Formula: C18H25ClN2O4 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)CC(=O)[O-].C[N+]1=CC=CC=C1.C[N+]1=CC=CC=C1.[Cl-]

Isomeric SMILES

CC(CC(=O)O)CC(=O)[O-].C[N+]1=CC=CC=C1.C[N+]1=CC=CC=C1.[Cl-]

InChI

InChI=1S/2C6H8N.C6H10O4.ClH/c2*1-7-5-3-2-4-6-7;1-4(2-5(7)8)3-6(9)10;/h2*2-6H,1H3;4H,2-3H2,1H3,(H,7,8)(H,9,10);1H/q2*+1;;/p-2