[4-(hexadecoxymethyl)oxolan-2-yl]methyl N-ethanoyl-N-(1-ethylpyridin-1-ium-4-yl)carbamate iodide

Systemtic Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl N-ethanoyl-N-(1-ethylpyridin-1-ium-4-yl)carbamate iodide Openeye Name: [4-(hexadecoxymethyl)tetrahydrofuran-2-yl]methyl N-acetyl-N-(1-ethylpyridin-1-ium-4-yl)carbamate iodide CAS Name: N-acetyl-N-(1-ethyl-4-pyridin-1-iumyl)carbamic acid [4-(hexadecoxymethyl)-2-oxolanyl]methyl ester iodide IUPAC Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl N-acetyl-N-(1-ethylpyridin-1-ium-4-yl)carbamate iodide Traditional Name: N-acetyl-N-(1-ethylpyridin-1-ium-4-yl)carbamic acid [4-(cetyloxymethyl)tetrahydrofuran-2-yl]methyl ester iodide Formula: C32H55IN2O5 MolecularWeight: 674.69397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)N(C2=CC=[N+](C=C2)CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)N(C2=CC=[N+](C=C2)CC)C(=O)C.[I-]

InChI

InChI=1S/C32H55N2O5.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-37-25-29-24-31(38-26-29)27-39-32(36)34(28(3)35)30-19-21-33(5-2)22-20-30;/h19-22,29,31H,4-18,23-27H2,1-3H3;1H/q+1;/p-1