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

Systemtic Name: 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 4-methoxybenzoate iodide Openeye Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 4-methoxybenzoate iodide CAS Name: 4-methoxybenzoic acid 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl ester iodide IUPAC Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 4-methoxybenzoate iodide Traditional Name: 4-methoxybenzoic acid 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl ester iodide Formula: C17H19IN2O4 MolecularWeight: 442.24823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4.HI/c1-19-10-3-4-14(12-19)16(20)18-9-11-23-17(21)13-5-7-15(22-2)8-6-13;/h3-8,10,12H,9,11H2,1-2H3;1H