[5-(3-methylbutoxy)oxolan-3-yl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: [5-(3-methylbutoxy)oxolan-3-yl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: (5-isopentyloxytetrahydrofuran-3-yl)methyl 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 [5-(3-methylbutoxy)-3-oxolanyl]methyl ester iodide IUPAC Name: [5-(3-methylbutoxy)oxolan-3-yl]methyl 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 (5-isoamoxytetrahydrofuran-3-yl)methyl ester iodide Formula: C21H33IN2O5 MolecularWeight: 520.40159

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC=C1CN(C(=O)C)C(=O)OCC2CC(OC2)OCCC(C)C.[I-]

Isomeric SMILES

CC[N+]1=CC=CC=C1CN(C(=O)C)C(=O)OCC2CC(OC2)OCCC(C)C.[I-]

InChI

InChI=1S/C21H33N2O5.HI/c1-5-22-10-7-6-8-19(22)13-23(17(4)24)21(25)28-15-18-12-20(27-14-18)26-11-9-16(2)3;/h6-8,10,16,18,20H,5,9,11-15H2,1-4H3;1H/q+1;/p-1