2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 3,4-dimethoxybenzoate iodide

Systemtic Name: 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 3,4-dimethoxybenzoate iodide Openeye Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 3,4-dimethoxybenzoate iodide CAS Name: 3,4-dimethoxybenzoic acid 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl ester iodide IUPAC Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 3,4-dimethoxybenzoate iodide Traditional Name: 3,4-dimethoxybenzoic acid 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl ester iodide Formula: C18H21IN2O5 MolecularWeight: 472.27421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NCCOC(=O)C2=CC(=C(C=C2)OC)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NCCOC(=O)C2=CC(=C(C=C2)OC)OC.[I-]

InChI

InChI=1S/C18H20N2O5.HI/c1-20-9-4-5-14(12-20)17(21)19-8-10-25-18(22)13-6-7-15(23-2)16(11-13)24-3;/h4-7,9,11-12H,8,10H2,1-3H3;1H