[4-(hexadecoxymethyl)oxolan-2-yl]methyl 2-azanyl-1-ethyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl 2-azanyl-1-ethyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: [4-(hexadecoxymethyl)tetrahydrofuran-2-yl]methyl 2-amino-1-ethyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 2-amino-1-ethyl-3-pyridin-1-iumcarboxylic acid [4-(hexadecoxymethyl)-2-oxolanyl]methyl ester iodide IUPAC Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl 2-amino-1-ethylpyridin-1-ium-3-carboxylate iodide Traditional Name: 2-amino-1-ethyl-pyridin-1-ium-3-carboxylic acid [4-(cetyloxymethyl)tetrahydrofuran-2-yl]methyl ester iodide Formula: C30H53IN2O4 MolecularWeight: 632.65729

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)C2=C([N+](=CC=C2)CC)N.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)C2=C([N+](=CC=C2)CC)N.[I-]

InChI

InChI=1S/C30H52N2O4.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-23-26-22-27(35-24-26)25-36-30(33)28-19-18-20-32(4-2)29(28)31;/h18-20,26-27,31H,3-17,21-25H2,1-2H3;1H