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

Systemtic Name: methyl N-(5-octadecoxyoxolan-3-yl)-N-(pyridin-1-ium-1-ylmethyl)carbamate iodide Openeye Name: methyl N-(5-octadecoxytetrahydrofuran-3-yl)-N-(pyridin-1-ium-1-ylmethyl)carbamate iodide CAS Name: N-(5-octadecoxy-3-oxolanyl)-N-(1-pyridin-1-iumylmethyl)carbamic acid methyl ester iodide IUPAC Name: methyl N-(5-octadecoxyoxolan-3-yl)-N-(pyridin-1-ium-1-ylmethyl)carbamate iodide Traditional Name: N-(pyridin-1-ium-1-ylmethyl)-N-(5-stearyloxytetrahydrofuran-3-yl)carbamic acid methyl ester iodide Formula: C30H53IN2O4 MolecularWeight: 632.65729

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1CC(CO1)N(C[N+]2=CC=CC=C2)C(=O)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1CC(CO1)N(C[N+]2=CC=CC=C2)C(=O)OC.[I-]

InChI

InChI=1S/C30H53N2O4.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-35-29-25-28(26-36-29)32(30(33)34-2)27-31-22-19-18-20-23-31;/h18-20,22-23,28-29H,3-17,21,24-27H2,1-2H3;1H/q+1;/p-1