(3-tetradecyloxolan-3-yl)methyl 2-azanyl-1-methyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: (3-tetradecyloxolan-3-yl)methyl 2-azanyl-1-methyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: (3-tetradecyltetrahydrofuran-3-yl)methyl 2-amino-1-methyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 2-amino-1-methyl-3-pyridin-1-iumcarboxylic acid (3-tetradecyl-3-oxolanyl)methyl ester iodide IUPAC Name: (3-tetradecyloxolan-3-yl)methyl 2-amino-1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 2-amino-1-methyl-pyridin-1-ium-3-carboxylic acid (3-myristyltetrahydrofuran-3-yl)methyl ester iodide Formula: C26H45IN2O3 MolecularWeight: 560.55157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1(CCOC1)COC(=O)C2=C([N+](=CC=C2)C)N.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCC1(CCOC1)COC(=O)C2=C([N+](=CC=C2)C)N.[I-]

InChI

InChI=1S/C26H44N2O3.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26(18-20-30-21-26)22-31-25(29)23-16-15-19-28(2)24(23)27;/h15-16,19,27H,3-14,17-18,20-22H2,1-2H3;1H