(5-pentadecyloxolan-2-yl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: (5-pentadecyloxolan-2-yl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: (5-pentadecyltetrahydrofuran-2-yl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid (5-pentadecyl-2-oxolanyl)methyl ester iodide IUPAC Name: (5-pentadecyloxolan-2-yl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid (5-pentadecyltetrahydrofuran-2-yl)methyl ester iodide Formula: C31H53IN2O4 MolecularWeight: 644.66799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1CCC(O1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1CCC(O1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

InChI

InChI=1S/C31H53N2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-29-22-23-30(37-29)26-36-31(35)33(27(3)34)25-28-20-18-19-24-32(28)5-2;/h18-20,24,29-30H,4-17,21-23,25-26H2,1-3H3;1H/q+1;/p-1