dimethyl 5-[(6-azanylpyridin-1-ium-3-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(6-azanylpyridin-1-ium-3-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(6-aminopyridin-1-ium-3-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(6-amino-3-pyridin-1-iumyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(6-aminopyridin-1-ium-3-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(6-aminopyridin-1-ium-3-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C15H16N3O4+ MolecularWeight: 302.30524

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C[NH+]=C(C=C2)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C[NH+]=C(C=C2)N)C(=O)OC

InChI

InChI=1S/C15H15N3O4/c1-21-14(19)9-5-10(15(20)22-2)7-12(6-9)18-11-3-4-13(16)17-8-11/h3-8,18H,1-2H3,(H2,16,17)/p+1