2,3-dimethoxy-6-[[(3-methylpyridin-1-ium-2-yl)amino]methyl]benzoate

Systemtic Name: 2,3-dimethoxy-6-[[(3-methylpyridin-1-ium-2-yl)amino]methyl]benzoate Openeye Name: 2,3-dimethoxy-6-[[(3-methylpyridin-1-ium-2-yl)amino]methyl]benzoate CAS Name: 2,3-dimethoxy-6-[[(3-methyl-2-pyridin-1-iumyl)amino]methyl]benzoate IUPAC Name: 2,3-dimethoxy-6-[[(3-methylpyridin-1-ium-2-yl)amino]methyl]benzoate Traditional Name: 2,3-dimethoxy-6-[[(3-methylpyridin-1-ium-2-yl)amino]methyl]benzoate Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CC=C1)NCC2=C(C(=C(C=C2)OC)OC)C(=O)[O-]

Isomeric SMILES

CC1=C([NH+]=CC=C1)NCC2=C(C(=C(C=C2)OC)OC)C(=O)[O-]

InChI

InChI=1S/C16H18N2O4/c1-10-5-4-8-17-15(10)18-9-11-6-7-12(21-2)14(22-3)13(11)16(19)20/h4-8H,9H2,1-3H3,(H,17,18)(H,19,20)