methyl N-(5-hexadecoxyoxolan-3-yl)-N-(pyridin-1-ium-1-ylmethyl)carbamate iodide

Systemtic Name: methyl N-(5-hexadecoxyoxolan-3-yl)-N-(pyridin-1-ium-1-ylmethyl)carbamate iodide Openeye Name: methyl N-(5-hexadecoxytetrahydrofuran-3-yl)-N-(pyridin-1-ium-1-ylmethyl)carbamate iodide CAS Name: N-(5-hexadecoxy-3-oxolanyl)-N-(1-pyridin-1-iumylmethyl)carbamic acid methyl ester iodide IUPAC Name: methyl N-(5-hexadecoxyoxolan-3-yl)-N-(pyridin-1-ium-1-ylmethyl)carbamate iodide Traditional Name: N-(5-cetyloxytetrahydrofuran-3-yl)-N-(pyridin-1-ium-1-ylmethyl)carbamic acid methyl ester iodide Formula: C28H49IN2O4 MolecularWeight: 604.60413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1CC(CO1)N(C[N+]2=CC=CC=C2)C(=O)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1CC(CO1)N(C[N+]2=CC=CC=C2)C(=O)OC.[I-]

InChI

InChI=1S/C28H49N2O4.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33-27-23-26(24-34-27)30(28(31)32-2)25-29-20-17-16-18-21-29;/h16-18,20-21,26-27H,3-15,19,22-25H2,1-2H3;1H/q+1;/p-1