[3-(2,2-dimethyloxan-4-yl)-6-methyl-heptyl]-[(E)-3-phenylprop-2-enyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [3-(2,2-dimethyloxan-4-yl)-6-methyl-heptyl]-[(E)-3-phenylprop-2-enyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [(E)-cinnamyl]-[3-(2,2-dimethyltetrahydropyran-4-yl)-6-methyl-heptyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [3-(2,2-dimethyl-4-oxanyl)-6-methylheptyl]-[(E)-3-phenylprop-2-enyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]-[(E)-3-phenylprop-2-enyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: [(E)-cinnamyl]-[3-(2,2-dimethyltetrahydropyran-4-yl)-6-methyl-heptyl]ammonium binoxalate Formula: C26H41NO5 MolecularWeight: 447.60744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH2+]CC=CC1=CC=CC=C1)C2CCOC(C2)(C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(C)CCC(CC[NH2+]C/C=C/C1=CC=CC=C1)C2CCOC(C2)(C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C24H39NO.C2H2O4/c1-20(2)12-13-22(23-15-18-26-24(3,4)19-23)14-17-25-16-8-11-21-9-6-5-7-10-21;3-1(4)2(5)6/h5-11,20,22-23,25H,12-19H2,1-4H3;(H,3,4)(H,5,6)/b11-8+;