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

Systemtic Name: [5-(3-phenylpropoxy)oxolan-3-yl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: [5-(3-phenylpropoxy)tetrahydrofuran-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-phenylpropoxy)-3-oxolanyl]methyl ester iodide IUPAC Name: [5-(3-phenylpropoxy)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-(3-phenylpropoxy)tetrahydrofuran-3-yl]methyl ester iodide Formula: C25H33IN2O5 MolecularWeight: 568.44439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC=C1CN(C(=O)C)C(=O)OCC2CC(OC2)OCCCC3=CC=CC=C3.[I-]

Isomeric SMILES

CC[N+]1=CC=CC=C1CN(C(=O)C)C(=O)OCC2CC(OC2)OCCCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C25H33N2O5.HI/c1-3-26-14-8-7-13-23(26)17-27(20(2)28)25(29)32-19-22-16-24(31-18-22)30-15-9-12-21-10-5-4-6-11-21;/h4-8,10-11,13-14,22,24H,3,9,12,15-19H2,1-2H3;1H/q+1;/p-1