octadecyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: octadecyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: octadecyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid octadecyl ester iodide IUPAC Name: octadecyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid stearyl ester iodide Formula: C29H51IN2O3 MolecularWeight: 602.63131

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C.[I-]

InChI

InChI=1S/C29H51N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34-29(33)31(27(3)32)26-28-23-20-21-24-30(28)5-2;/h20-21,23-24H,4-19,22,25-26H2,1-3H3;1H/q+1;/p-1