2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 3,4,5-trimethoxybenzoate Openeye Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 2-[[oxo(3-pyridin-1-iumyl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 2-(pyridin-1-ium-3-carbonylamino)ethyl ester Formula: C18H21N2O6+ MolecularWeight: 361.36914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCNC(=O)C2=C[NH+]=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCNC(=O)C2=C[NH+]=CC=C2

InChI

InChI=1S/C18H20N2O6/c1-23-14-9-13(10-15(24-2)16(14)25-3)18(22)26-8-7-20-17(21)12-5-4-6-19-11-12/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)/p+1