[2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] 4-methyl-4-oxidanidyl-piperazin-4-ium-1-carboxylate

Systemtic Name: [2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] 4-methyl-4-oxidanidyl-piperazin-4-ium-1-carboxylate Openeye Name: [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-isoindolin-1-yl] 4-methyl-4-oxido-piperazin-4-ium-1-carboxylate CAS Name: 4-methyl-4-oxido-1-piperazin-4-iumcarboxylic acid [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] ester IUPAC Name: [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate Traditional Name: 4-methyl-4-oxido-piperazin-4-ium-1-carboxylic acid [2-(7-chloro-1,8-naphthyridin-2-yl)-3-keto-isoindolin-1-yl] ester Formula: C22H20ClN5O4 MolecularWeight: 453.8783

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)OC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)OC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)[O-]

InChI

InChI=1S/C22H20ClN5O4/c1-28(31)12-10-26(11-13-28)22(30)32-21-16-5-3-2-4-15(16)20(29)27(21)18-9-7-14-6-8-17(23)24-19(14)25-18/h2-9,21H,10-13H2,1H3