[4-(hexadecoxymethyl)oxolan-2-yl]methyl N-ethoxycarbonyl-N-(pyridin-1-ium-2-ylmethyl)carbamate iodide

Systemtic Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl N-ethoxycarbonyl-N-(pyridin-1-ium-2-ylmethyl)carbamate iodide Openeye Name: [4-(hexadecoxymethyl)tetrahydrofuran-2-yl]methyl N-ethoxycarbonyl-N-(pyridin-1-ium-2-ylmethyl)carbamate iodide CAS Name: N-ethoxycarbonyl-N-(2-pyridin-1-iumylmethyl)carbamic acid [4-(hexadecoxymethyl)-2-oxolanyl]methyl ester iodide IUPAC Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl N-ethoxycarbonyl-N-(pyridin-1-ium-2-ylmethyl)carbamate iodide Traditional Name: N-carbethoxy-N-(pyridin-1-ium-2-ylmethyl)carbamic acid [4-(cetyloxymethyl)tetrahydrofuran-2-yl]methyl ester iodide Formula: C32H55IN2O6 MolecularWeight: 690.69337

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)N(CC2=CC=CC=[NH+]2)C(=O)OCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)N(CC2=CC=CC=[NH+]2)C(=O)OCC.[I-]

InChI

InChI=1S/C32H54N2O6.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-37-25-28-23-30(39-26-28)27-40-32(36)34(31(35)38-4-2)24-29-20-17-18-21-33-29;/h17-18,20-21,28,30H,3-16,19,22-27H2,1-2H3;1H