4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid 4-phthalimidobutyl ester Formula: C18H18N3O4+ MolecularWeight: 340.35322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c19-15-14(8-5-9-20-15)18(24)25-11-4-3-10-21-16(22)12-6-1-2-7-13(12)17(21)23/h1-2,5-9H,3-4,10-11H2,(H2,19,20)/p+1