2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 4-methoxybenzoate chloride

Systemtic Name: 2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 4-methoxybenzoate chloride Openeye Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 4-methoxybenzoate chloride CAS Name: 4-methoxybenzoic acid 2-[[oxo(3-pyridin-1-iumyl)methyl]amino]ethyl ester chloride IUPAC Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 4-methoxybenzoate chloride Traditional Name: 4-methoxybenzoic acid 2-(pyridin-1-ium-3-carbonylamino)ethyl ester chloride Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCCNC(=O)C2=C[NH+]=CC=C2.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCCNC(=O)C2=C[NH+]=CC=C2.[Cl-]

InChI

InChI=1S/C16H16N2O4.ClH/c1-21-14-6-4-12(5-7-14)16(20)22-10-9-18-15(19)13-3-2-8-17-11-13;/h2-8,11H,9-10H2,1H3,(H,18,19);1H