methyl N-[[1-ethyl-3-(4-hexadecoxy-4-methyl-oxetan-2-yl)pyridin-1-ium-2-yl]methyl]carbamate iodide

Systemtic Name: methyl N-[[1-ethyl-3-(4-hexadecoxy-4-methyl-oxetan-2-yl)pyridin-1-ium-2-yl]methyl]carbamate iodide Openeye Name: methyl N-[[1-ethyl-3-(4-hexadecoxy-4-methyl-oxetan-2-yl)pyridin-1-ium-2-yl]methyl]carbamate iodide CAS Name: N-[[1-ethyl-3-(4-hexadecoxy-4-methyl-2-oxetanyl)-2-pyridin-1-iumyl]methyl]carbamic acid methyl ester iodide IUPAC Name: methyl N-[[1-ethyl-3-(4-hexadecoxy-4-methyloxetan-2-yl)pyridin-1-ium-2-yl]methyl]carbamate iodide Traditional Name: N-[[3-(4-cetyloxy-4-methyl-oxetan-2-yl)-1-ethyl-pyridin-1-ium-2-yl]methyl]carbamic acid methyl ester iodide Formula: C30H53IN2O4 MolecularWeight: 632.65729

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1(CC(O1)C2=C([N+](=CC=C2)CC)CNC(=O)OC)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1(CC(O1)C2=C([N+](=CC=C2)CC)CNC(=O)OC)C.[I-]

InChI

InChI=1S/C30H52N2O4.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35-30(3)24-28(36-30)26-21-20-22-32(6-2)27(26)25-31-29(33)34-4;/h20-22,28H,5-19,23-25H2,1-4H3;1H