[5-(octadecoxymethyl)oxolan-3-yl]methyl 2-azanyl-1-methyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: [5-(octadecoxymethyl)oxolan-3-yl]methyl 2-azanyl-1-methyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: [5-(octadecoxymethyl)tetrahydrofuran-3-yl]methyl 2-amino-1-methyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 2-amino-1-methyl-3-pyridin-1-iumcarboxylic acid [5-(octadecoxymethyl)-3-oxolanyl]methyl ester iodide IUPAC Name: [5-(octadecoxymethyl)oxolan-3-yl]methyl 2-amino-1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 2-amino-1-methyl-pyridin-1-ium-3-carboxylic acid [5-(stearyloxymethyl)tetrahydrofuran-3-yl]methyl ester iodide Formula: C31H55IN2O4 MolecularWeight: 646.68387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC1CC(CO1)COC(=O)C2=C([N+](=CC=C2)C)N.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC1CC(CO1)COC(=O)C2=C([N+](=CC=C2)C)N.[I-]

InChI

InChI=1S/C31H54N2O4.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-35-26-28-23-27(24-36-28)25-37-31(34)29-20-19-21-33(2)30(29)32;/h19-21,27-28,32H,3-18,22-26H2,1-2H3;1H