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

Systemtic Name: 2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 3-methoxybenzoate Openeye Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid 2-[[oxo(3-pyridin-1-iumyl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid 2-(pyridin-1-ium-3-carbonylamino)ethyl ester Formula: C16H17N2O4+ MolecularWeight: 301.31718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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