methyl N-[[2-(3-tetradecyloxolan-3-yl)pyridin-1-ium-1-yl]methyl]carbamate iodide

Systemtic Name: methyl N-[[2-(3-tetradecyloxolan-3-yl)pyridin-1-ium-1-yl]methyl]carbamate iodide Openeye Name: methyl N-[[2-(3-tetradecyltetrahydrofuran-3-yl)pyridin-1-ium-1-yl]methyl]carbamate iodide CAS Name: N-[[2-(3-tetradecyl-3-oxolanyl)-1-pyridin-1-iumyl]methyl]carbamic acid methyl ester iodide IUPAC Name: methyl N-[[2-(3-tetradecyloxolan-3-yl)pyridin-1-ium-1-yl]methyl]carbamate iodide Traditional Name: N-[[2-(3-myristyltetrahydrofuran-3-yl)pyridin-1-ium-1-yl]methyl]carbamic acid methyl ester iodide Formula: C26H45IN2O3 MolecularWeight: 560.55157

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1(CCOC1)C2=CC=CC=[N+]2CNC(=O)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCC1(CCOC1)C2=CC=CC=[N+]2CNC(=O)OC.[I-]

InChI

InChI=1S/C26H44N2O3.HI/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-26(19-21-31-22-26)24-17-14-16-20-28(24)23-27-25(29)30-2;/h14,16-17,20H,3-13,15,18-19,21-23H2,1-2H3;1H