2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid 2-phthalimidoethyl ester Formula: C16H14N3O4+ MolecularWeight: 312.30006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=C([NH+]=CC=C3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=C([NH+]=CC=C3)N

InChI

InChI=1S/C16H13N3O4/c17-13-12(6-3-7-18-13)16(22)23-9-8-19-14(20)10-4-1-2-5-11(10)15(19)21/h1-7H,8-9H2,(H2,17,18)/p+1